Geometry & MOs

Info

ID:	372674
PubChem CID:	131301930
Reduced:	N3O3C8H9 (1)
Stoich.:	A3B3C8D9 (1)
Weight, g/mol:	240.00272
ΔH_f, kcal/mol:	-91.38
Dipole, Da:	4.11
IP(EA), eV:	-8.8(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylsulfanyl-7-nitro-1-benzothiophen-4-amine

Drug info:

PubChemData

Smile

C1=C2C(=CO1)NC(=O)C(N2)CC(=O)N

DOS

IR

Vibrations