Geometry & MOs

Info

ID:	159377
PubChem CID:	57269755
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	289.052112
ΔH_f, kcal/mol:	-123.65
Dipole, Da:	2.71
IP(EA), eV:	-8.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethoxy-3-(1H-1,2,4-triazol-5-yl)chromene-4-thione

Drug info:

PubChemData

Smile

CC(C)(COC(=O)Cl)C1=CC=C(C=C1)OC

DOS

IR

Vibrations