Geometry & MOs

Info

ID:	27505
PubChem CID:	821688
Reduced:	NSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	281.93501
ΔH_f, kcal/mol:	-40.64
Dipole, Da:	4.53
IP(EA), eV:	-9.52(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-1-benzothiophen-3-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=CC=CC=C2S1)[N+](=O)[O-]

DOS

IR

Vibrations