Geometry & MOs

Info

ID:

102582

PubChem CID:

50068291

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

665.258039

ΔHf, kcal/mol:

-274.78

Dipole, Da:

9.88

IP(EA), eV:

 -8.91(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(cyclopentylcarbamoyl)phenyl]-1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)F)C

DOS

IR

Vibrations