Geometry & MOs

Info

ID:	166098
PubChem CID:	74637196
Reduced:	SN3O4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	415.005853
ΔH_f, kcal/mol:	-128.6
Dipole, Da:	8.2
IP(EA), eV:	-8.8(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-[[3-methoxy-4-(4-nitrobenzoyl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C=CC2=CC=C(C=C2)NC(=O)C)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations