Geometry & MOs

Info

ID:	30771
PubChem CID:	841845
Reduced:	ClOSN2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	267.031377
ΔH_f, kcal/mol:	10.27
Dipole, Da:	3.48
IP(EA), eV:	-8.22(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-(4-nitrophenyl)sulfonylimidazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3C(=CC(=N3)C)C)Cl

DOS

IR

Vibrations