Geometry & MOs

Info

ID:	302408
PubChem CID:	124361626
Reduced:	N4O6C25H26 (1)
Stoich.:	A4B6C25D26 (1)
Weight, g/mol:	517.315186
ΔH_f, kcal/mol:	-222.47
Dipole, Da:	3.32
IP(EA), eV:	-9.6(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-2-[[(2R)-4-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]pentanoyl]amino]butanoic acid

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

C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4NC3=O

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

C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4NC3=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):