Geometry & MOs

Info

ID:	426238
PubChem CID:	135142860
Reduced:	ClSO2N4H11C15 (1)
Stoich.:	ABC2D4E11F15 (1)
Weight, g/mol:	295.118158
ΔH_f, kcal/mol:	17.43
Dipole, Da:	6.31
IP(EA), eV:	-8.92(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-imidazol-2-ylmethyl)-2-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C4C(=CN=C32)NC(=N4)CCl

DOS

IR

Vibrations