Geometry & MOs

Info

ID:

97026

PubChem CID:

50026867

Reduced:

N6O7C39H48 (1)

Stoich.:

A6B7C39D48 (1)

Weight, g/mol:

720.343547

ΔHf, kcal/mol:

-248.08

Dipole, Da:

3.13

IP(EA), eV:

 -8.87(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-fluoro-5-[(4-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-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)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)OC

DOS

IR

Vibrations