Geometry & MOs

Info

ID:

105950

PubChem CID:

50143873

Reduced:

N5O5C32H45 (1)

Stoich.:

A5B5C32D45 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-213.55

Dipole, Da:

4.24

IP(EA), eV:

 -8.43(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC=C3OC

DOS

IR

Vibrations