Geometry & MOs

Info

ID:

93396

PubChem CID:

49994776

Reduced:

N6O6C41H52 (1)

Stoich.:

A6B6C41D52 (1)

Weight, g/mol:

663.279917

ΔHf, kcal/mol:

-238.22

Dipole, Da:

7.18

IP(EA), eV:

 -8.16(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(trifluoromethyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)C)OC

DOS

IR

Vibrations