Geometry & MOs

Info

ID:

95146

PubChem CID:

50006665

Reduced:

Cl2O4N5C32H41 (1)

Stoich.:

A2B4C5D32E41 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-184.49

Dipole, Da:

10.85

IP(EA), eV:

 -8.83(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations