Geometry & MOs

Info

ID:

113917

PubChem CID:

50463754

Reduced:

O4N5C38H47 (1)

Stoich.:

A4B5C38D47 (1)

Weight, g/mol:

649.306433

ΔHf, kcal/mol:

-151.25

Dipole, Da:

4.49

IP(EA), eV:

 -8.68(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]-1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC=C2NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations