Geometry & MOs

Info

ID:

336618

PubChem CID:

127255625

Reduced:

N2O4C27H30 (1)

Stoich.:

A2B4C27D30 (1)

Weight, g/mol:

806.453133

ΔHf, kcal/mol:

-132.0

Dipole, Da:

3.86

IP(EA), eV:

 -9.04(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-2-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methylbutanoyl]-3-methyl-2-(methylamino)butanamide;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)[C@]12CCCC=C1N(C(=O)[C@@H]2CC(=O)NC)CC3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations