Geometry & MOs

Info

ID:	128694
PubChem CID:	51054339
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	356.14193
ΔH_f, kcal/mol:	-18.81
Dipole, Da:	5.96
IP(EA), eV:	-8.32(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=C(SC(=N1)N2C=CC=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations