Geometry & MOs

Info

ID:

94185

PubChem CID:

49998935

Reduced:

N3O3C18H22 (2)

Stoich.:

A3B3C18D22 (2)

Weight, g/mol:

674.322811

ΔHf, kcal/mol:

-209.73

Dipole, Da:

2.6

IP(EA), eV:

 -8.23(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[3-[(3-fluorobenzoyl)amino]-4-methoxyanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations