Geometry & MOs

Info

ID:

103817

PubChem CID:

50075043

Reduced:

F2N6O6C41H42 (1)

Stoich.:

A2B6C6D41E42 (1)

Weight, g/mol:

708.282696

ΔHf, kcal/mol:

-261.53

Dipole, Da:

6.56

IP(EA), eV:

 -8.96(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC(=CC=C6)F)OC

DOS

IR

Vibrations