Geometry & MOs

Info

ID:

112137

PubChem CID:

50396568

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

677.295567

ΔHf, kcal/mol:

-227.39

Dipole, Da:

9.26

IP(EA), eV:

 -8.55(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(=O)NC(C)C)C

DOS

IR

Vibrations