Geometry & MOs

Info

ID:	372760
PubChem CID:	131304126
Reduced:	SN3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	283.95066
ΔH_f, kcal/mol:	15.25
Dipole, Da:	4.26
IP(EA), eV:	-9.6(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-6-methyl-1-benzothiophen-7-yl)acetic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)CC2=NC(=NS2)CN

DOS

IR

Vibrations