Geometry & MOs

Info

ID:	312419
PubChem CID:	126604755
Reduced:	O2S2N3H13C15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	347.047228
ΔH_f, kcal/mol:	9.19
Dipole, Da:	3.13
IP(EA), eV:	-8.42(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(aminomethylidene)-1-methyl-3-[4-(sulfanylmethyl)phenoxy]-6,7-dihydro-2-benzothiophene-4-thione

Drug info:

PubChemData

Smile

C\1CC2=C(SC(=C2C(=S)/C1=C\N)OC3=CN=CC=C3)C(=O)N

DOS

IR

Vibrations