Geometry & MOs

Info

ID:	298111
PubChem CID:	117647552
Reduced:	N3O4C27H49 (1)
Stoich.:	A3B4C27D49 (1)
Weight, g/mol:	667.46727
ΔH_f, kcal/mol:	-246.01
Dipole, Da:	5.32
IP(EA), eV:	-8.98(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2S)-1-[[(E,3S)-6-[(2S)-2-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)/C(=C/[C@@H](C(C)C)N(C)C(=O)[C@@H](C(C)(C)C)NC(=O)C1CCCCN1C(C)(C)C)/C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)/C(=C/[C@@H](C(C)C)N(C)C(=O)[C@@H](C(C)(C)C)NC(=O)C1CCCCN1C(C)(C)C)/C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):