Geometry & MOs

Info

ID:

113794

PubChem CID:

50458713

Reduced:

F4O5N6C42H42 (1)

Stoich.:

A4B5C6D42E42 (1)

Weight, g/mol:

750.310803

ΔHf, kcal/mol:

-314.81

Dipole, Da:

6.84

IP(EA), eV:

 -9.1(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(4-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC=C5F)F)C(=O)NC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations