Geometry & MOs

Info

ID:

105860

PubChem CID:

50140350

Reduced:

O5N6C35H46 (1)

Stoich.:

A5B6C35D46 (1)

Weight, g/mol:

644.368619

ΔHf, kcal/mol:

-207.9

Dipole, Da:

7.79

IP(EA), eV:

 -8.77(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)NC5CCCC5

DOS

IR

Vibrations