Geometry & MOs

Info

ID:

108155

PubChem CID:

50232294

Reduced:

F3O5N6C42H43 (1)

Stoich.:

A3B5C6D42E43 (1)

Weight, g/mol:

744.263852

ΔHf, kcal/mol:

-282.39

Dipole, Da:

10.27

IP(EA), eV:

 -8.82(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(2-chlorobenzoyl)amino]-3-methylanilino]-2-oxoethyl]-1-[1-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)CC6=CC=C(C=C6)F)F

DOS

IR

Vibrations