Geometry & MOs

Info

ID:	13357
PubChem CID:	226970
Reduced:	BrSN2O2C11H11 (1)
Stoich.:	ABC2D2E11F11 (1)
Weight, g/mol:	313.97246
ΔH_f, kcal/mol:	-43.77
Dipole, Da:	4.82
IP(EA), eV:	-9.19(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=NC2=C(N1)C=C(C=C2)Br

DOS

IR

Vibrations