Geometry & MOs

Info

ID:	31950
PubChem CID:	3724341
Reduced:	N2O2C19H24 (1)
Stoich.:	A2B2C19D24 (1)
Weight, g/mol:	514.111104
ΔH_f, kcal/mol:	-69.79
Dipole, Da:	3.07
IP(EA), eV:	-8.33(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CCNC(=O)NC2=C(C=CC(=C2)C)OC)C

DOS

IR

Vibrations