Geometry & MOs

Info

ID:

147075

PubChem CID:

53786691

Reduced:

O4N6C19H24 (1)

Stoich.:

A4B6C19D24 (1)

Weight, g/mol:

639.330836

ΔHf, kcal/mol:

-78.87

Dipole, Da:

3.74

IP(EA), eV:

 -8.2(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-(cyclohexanecarbonyl)-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-3-(4-phenylmethoxyphenyl)propan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CNCCN1C2=NC=C(C(=N2)N(C)C3=CC4=C(C=C3)OCO4)N

DOS

IR

Vibrations