Geometry & MOs

Info

ID:	372531
PubChem CID:	131299336
Reduced:	S2N3C10H13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	305.91617
ΔH_f, kcal/mol:	46.61
Dipole, Da:	1.88
IP(EA), eV:	-8.4(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-7-(difluoromethyl)-1-benzothiophene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CC2=C(NC(=C2)SC)N

DOS

IR

Vibrations