Geometry & MOs

Info

ID:	17271
PubChem CID:	491104
Reduced:	BrSN2O2H17C18 (1)
Stoich.:	ABC2D2E17F18 (1)
Weight, g/mol:	404.01941
ΔH_f, kcal/mol:	-18.68
Dipole, Da:	8.24
IP(EA), eV:	-9.42(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromothiophen-2-yl)-1-cyclohexylbenzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CS4)Br

DOS

IR

Vibrations