Geometry & MOs

Info

ID:	66164
PubChem CID:	46500351
Reduced:	S2O3N7C16H23 (1)
Stoich.:	A2B3C7D16E23 (1)
Weight, g/mol:	442.99393
ΔH_f, kcal/mol:	-32.05
Dipole, Da:	2.86
IP(EA), eV:	-9.12(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-3-(2-bromophenyl)-6-[(2,4-dimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CSC2=NC(=NC(=N2)N(C)C)N(C)C

DOS

IR

Vibrations