Geometry & MOs

Info

ID:

113342

PubChem CID:

50440638

Reduced:

ClF2O5N6C34H37 (1)

Stoich.:

AB2C5D6E34F37 (1)

Weight, g/mol:

728.349775

ΔHf, kcal/mol:

-274.68

Dipole, Da:

2.45

IP(EA), eV:

 -8.72(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(cyclopentylcarbamoyl)phenyl]-1-[1-[1-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC=C4F)F)Cl

DOS

IR

Vibrations