Geometry & MOs

Info

ID:

112936

PubChem CID:

50426198

Reduced:

O5N6C31H42 (1)

Stoich.:

A5B6C31D42 (1)

Weight, g/mol:

675.223545

ΔHf, kcal/mol:

-211.58

Dipole, Da:

2.69

IP(EA), eV:

 -8.45(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]-1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)NC(=O)C)C(=O)NC

DOS

IR

Vibrations