Geometry & MOs

Info

ID:	345840
PubChem CID:	127270140
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-30.54
Dipole, Da:	3.63
IP(EA), eV:	-8.84(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-imidazol-1-yl-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]benzamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)C3=CC=CC=C3N4C=CC=N4

DOS

IR

Vibrations