Geometry & MOs

Info

ID:

113478

PubChem CID:

50447515

Reduced:

F2N6O6C37H44 (1)

Stoich.:

A2B6C6D37E44 (1)

Weight, g/mol:

740.288924

ΔHf, kcal/mol:

-293.57

Dipole, Da:

2.37

IP(EA), eV:

 -8.93(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-[(2-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)OC)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations