Geometry & MOs

Info

ID:	374310
PubChem CID:	131326567
Reduced:	N2O3C11H12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	240.027872
ΔH_f, kcal/mol:	-85.71
Dipole, Da:	4.56
IP(EA), eV:	-9.92(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxy-6-methylsulfanyl-1-benzothiophen-7-yl)methanol

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C(=CC=C1)C(=O)NC)C=O

DOS

IR

Vibrations