Geometry & MOs

Info

ID:

92957

PubChem CID:

49990736

Reduced:

O5N6C43H56 (1)

Stoich.:

A5B6C43D56 (1)

Weight, g/mol:

644.368619

ΔHf, kcal/mol:

-217.3

Dipole, Da:

5.79

IP(EA), eV:

 -8.29(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)C)C

DOS

IR

Vibrations