Geometry & MOs

Info

ID:

97410

PubChem CID:

50031273

Reduced:

N3O3C17H20 (2)

Stoich.:

A3B3C17D20 (2)

Weight, g/mol:

708.307161

ΔHf, kcal/mol:

-211.81

Dipole, Da:

9.08

IP(EA), eV:

 -8.44(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-fluorobenzoyl)amino]-4-methoxyanilino]-3-oxopropyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C)OC

DOS

IR

Vibrations