Geometry & MOs

Info

ID:	312411
PubChem CID:	126604730
Reduced:	O2S2N3C23H25 (1)
Stoich.:	A2B2C3D23E25 (1)
Weight, g/mol:	345.060569
ΔH_f, kcal/mol:	-3.14
Dipole, Da:	9.25
IP(EA), eV:	-8.61(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(aminomethylidene)-3-(2-methylpyridin-3-yl)oxy-4-sulfanylidene-6,7-dihydro-2-benzothiophene-1-carboxamide

Drug info:

PubChemData

Smile

CC1C(=C2CCC3=C(C2=C(S1)OC4=CN=C(C=C4)C(=O)N5CCCCC5)SN=C3)C

DOS

IR

Vibrations