Geometry & MOs

Info

ID:

97464

PubChem CID:

50031952

Reduced:

ClO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

665.258039

ΔHf, kcal/mol:

-194.23

Dipole, Da:

10.72

IP(EA), eV:

 -8.62(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]-1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations