Geometry & MOs

Info

ID:	312402
PubChem CID:	126604696
Reduced:	S2O3N6H18C20 (1)
Stoich.:	A2B3C6D18E20 (1)
Weight, g/mol:	345.060569
ΔH_f, kcal/mol:	59.56
Dipole, Da:	4.37
IP(EA), eV:	-8.88(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(aminomethylidene)-3-[6-(methylamino)pyridin-3-yl]oxy-4-sulfanylidene-6,7-dihydro-2-benzothiophene-1-carbaldehyde

Drug info:

PubChemData

Smile

CN(C1=NC=C(C=C1)OC2=C3C(=C(S2)C(=O)N=NN)CCC4=C3SN=C4)C(=O)C5CC5

DOS

IR

Vibrations