Geometry & MOs

Info

ID:

94207

PubChem CID:

49999041

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

720.376597

ΔHf, kcal/mol:

-274.32

Dipole, Da:

7.65

IP(EA), eV:

 -8.79(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)CC4=CC=C(C=C4)F)F

DOS

IR

Vibrations