Geometry & MOs

Info

ID:	312423
PubChem CID:	126604771
Reduced:	OSN3H6C8 (2)
Stoich.:	ABC3D6E8 (2)
Weight, g/mol:	286.026827
ΔH_f, kcal/mol:	95.02
Dipole, Da:	4.03
IP(EA), eV:	-9.14(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-(aminosulfanylmethyl)-3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbaldehyde

Drug info:

PubChemData

Smile

C1CC2=C(SC(=C2C3=C1C=NS3)OC4=CN=CC(=C4)CN=[N+]=[N-])C(=O)N

DOS

IR

Vibrations