Geometry & MOs

Info

ID:	202586
PubChem CID:	79692723
Reduced:	IOSN2C12H17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	403.91502
ΔH_f, kcal/mol:	-10.42
Dipole, Da:	3.49
IP(EA), eV:	-9.45(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-iodothiophen-3-yl)-6-methylsulfonyl-1H-benzimidazole

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)C(=O)C2=CSC(=C2)I)N

DOS

IR

Vibrations