Geometry & MOs

Info

ID:	312418
PubChem CID:	126604746
Reduced:	O3S3N5C13H17 (1)
Stoich.:	A3B3C5D13E17 (1)
Weight, g/mol:	331.044919
ΔH_f, kcal/mol:	-21.91
Dipole, Da:	2.69
IP(EA), eV:	-8.66(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(aminomethylidene)-3-pyridin-3-yloxy-4-sulfanylidene-6,7-dihydro-2-benzothiophene-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(SC(=C2C(=C1CN)S(=O)(=O)C)S)C(=O)N)CN=[N+]=[N-]

DOS

IR

Vibrations