Geometry & MOs

Info

ID:	448586
PubChem CID:	135292101
Reduced:	N2O3C20H34 (1)
Stoich.:	A2B3C20D34 (1)
Weight, g/mol:	509.246061
ΔH_f, kcal/mol:	-137.85
Dipole, Da:	3.05
IP(EA), eV:	-9.15(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[5-cyano-2-cyclopropyl-4-methyl-6-(3-methyl-4-pentanoylpiperazin-1-yl)pyridin-3-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCCCCOCCOCCNC(=O)C1=CC=C(C=C1)CNC(C)C

DOS

IR

Vibrations