Geometry & MOs

Info

ID:	70126
PubChem CID:	47207991
Reduced:	N2S2O3C13H18 (1)
Stoich.:	A2B2C3D13E18 (1)
Weight, g/mol:	409.90858
ΔH_f, kcal/mol:	-65.24
Dipole, Da:	3.42
IP(EA), eV:	-9.49(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-1-methylimidazol-2-yl)methyl 4-chloro-3-iodobenzoate

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)CC2=CSC(=N2)C(C)(C)C

DOS

IR

Vibrations