Geometry & MOs

Info

ID:

102018

PubChem CID:

50065296

Reduced:

F2O5N6C39H44 (1)

Stoich.:

A2B5C6D39E44 (1)

Weight, g/mol:

742.365425

ΔHf, kcal/mol:

-263.63

Dipole, Da:

9.96

IP(EA), eV:

 -8.93(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexanecarbonylamino)-3-methylphenyl]-1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)N6CCCCC6

DOS

IR

Vibrations