Geometry & MOs

Info

ID:	372861
PubChem CID:	131306128
Reduced:	NSO2H7C11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	247.02787
ΔH_f, kcal/mol:	-3.93
Dipole, Da:	4.98
IP(EA), eV:	-9.31(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-amino-6-(trifluoromethyl)-1-benzothiophen-3-yl]methanol

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1CC#N)C=C(S2)O)C=O

DOS

IR

Vibrations