Geometry & MOs

Info

ID:	358852
PubChem CID:	127296723
Reduced:	ON4C22H32 (1)
Stoich.:	AB4C22D32 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-30.63
Dipole, Da:	4.95
IP(EA), eV:	-8.41(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylcyclohexyl)-3-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]urea

Drug info:

PubChemData

Smile

CCCN1CCC(C1)CNC(=O)N2CCCCC2C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations