Geometry & MOs

Info

ID:

98207

PubChem CID:

50040785

Reduced:

F3O5N6C42H43 (1)

Stoich.:

A3B5C6D42E43 (1)

Weight, g/mol:

784.295152

ΔHf, kcal/mol:

-280.76

Dipole, Da:

7.29

IP(EA), eV:

 -8.46(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]-1-[1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)NC(=O)CC6=CC=C(C=C6)F

DOS

IR

Vibrations