Geometry & MOs

Info

ID:

95702

PubChem CID:

50012805

Reduced:

N6O6C33H44 (1)

Stoich.:

A6B6C33D44 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-230.85

Dipole, Da:

1.25

IP(EA), eV:

 -8.95(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-fluoro-5-[(2-fluorobenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)N4CCOCC4

DOS

IR

Vibrations