Geometry & MOs

Info

ID:

96776

PubChem CID:

50024446

Reduced:

N6O6C39H50 (1)

Stoich.:

A6B6C39D50 (1)

Weight, g/mol:

702.354111

ΔHf, kcal/mol:

-228.87

Dipole, Da:

10.7

IP(EA), eV:

 -8.22(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[4-[(4-fluorobenzoyl)amino]-3-methoxyanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)C)OC

DOS

IR

Vibrations