Geometry & MOs

Info

ID:

106019

PubChem CID:

50146418

Reduced:

O3N4C28H38 (1)

Stoich.:

A3B4C28D38 (1)

Weight, g/mol:

635.248617

ΔHf, kcal/mol:

-128.44

Dipole, Da:

8.15

IP(EA), eV:

 -8.89(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NCC(C)C)C

DOS

IR

Vibrations