Geometry & MOs

Info

ID:

111842

PubChem CID:

50383493

Reduced:

F2N6O6C37H42 (1)

Stoich.:

A2B6C6D37E42 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-294.61

Dipole, Da:

4.47

IP(EA), eV:

 -9.18(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-[(2-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C(=O)N5CCOCC5

DOS

IR

Vibrations