Geometry & MOs

Info

ID:

110653

PubChem CID:

50333818

Reduced:

O4N5C30H41 (1)

Stoich.:

A4B5C30D41 (1)

Weight, g/mol:

644.368619

ΔHf, kcal/mol:

-174.37

Dipole, Da:

3.0

IP(EA), eV:

 -8.85(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C(=O)NC(C)C)C)C

DOS

IR

Vibrations