Geometry & MOs

Info

ID:

105555

PubChem CID:

50111283

Reduced:

N6O6C35H42 (1)

Stoich.:

A6B6C35D42 (1)

Weight, g/mol:

700.374847

ΔHf, kcal/mol:

-191.86

Dipole, Da:

14.93

IP(EA), eV:

 -8.42(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-3-oxopropyl]-1-[1-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4)OC

DOS

IR

Vibrations