Geometry & MOs

Info

ID:	67810
PubChem CID:	46507215
Reduced:	ON2H6C8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	413.086784
ΔH_f, kcal/mol:	36.43
Dipole, Da:	2.88
IP(EA), eV:	-8.9(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,4-diethoxyphenyl)methyl]-4-sulfanylidene-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=NC3=CC=CC=C3N4C2=NNC4=O

DOS

IR

Vibrations