Geometry & MOs

Info

ID:

112722

PubChem CID:

50417252

Reduced:

O5N6C37H50 (1)

Stoich.:

A5B6C37D50 (1)

Weight, g/mol:

710.379183

ΔHf, kcal/mol:

-214.25

Dipole, Da:

7.04

IP(EA), eV:

 -8.9(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-methoxy-4-[(4-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(=O)N5CCCCC5)C

DOS

IR

Vibrations