Geometry & MOs

Info

ID:

94553

PubChem CID:

50002235

Reduced:

N3O3C18H26 (2)

Stoich.:

A3B3C18D26 (2)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-268.03

Dipole, Da:

12.35

IP(EA), eV:

 -8.44(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC(C)CC)C)OC

DOS

IR

Vibrations