Geometry & MOs

Info

ID:

108715

PubChem CID:

50255818

Reduced:

F3O5N6C36H39 (1)

Stoich.:

A3B5C6D36E39 (1)

Weight, g/mol:

754.329039

ΔHf, kcal/mol:

-302.32

Dipole, Da:

13.0

IP(EA), eV:

 -8.41(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations