Geometry & MOs

Info

ID:	322579
PubChem CID:	126670561
Reduced:	FNO5C15H26 (1)
Stoich.:	ABC5D15E26 (1)
Weight, g/mol:	662.354031
ΔH_f, kcal/mol:	-304.01
Dipole, Da:	4.5
IP(EA), eV:	-9.85(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S)-2-[5-[(5Z)-5-[[amino-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]methylidene]amino]octa-5,7-dien-1,3-diynyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

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

CCCCOC(=O)[C@@H]1[C@@H]([C@H](CN1C(=O)OC(C)(C)C)F)OC

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

CCCCOC(=O)[C@@H]1[C@@H]([C@H](CN1C(=O)OC(C)(C)C)F)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):