Geometry & MOs

Info

ID:

117220

PubChem CID:

50595128

Reduced:

Cl2N6O6C35H38 (1)

Stoich.:

A2B6C6D35E38 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-204.86

Dipole, Da:

7.52

IP(EA), eV:

 -8.7(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations