Geometry & MOs

Info

ID:

94590

PubChem CID:

50002465

Reduced:

N6O6C33H46 (1)

Stoich.:

A6B6C33D46 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-257.24

Dipole, Da:

10.41

IP(EA), eV:

 -8.48(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations