Geometry & MOs

Info

ID:	62393
PubChem CID:	26719670
Reduced:	NO2H10C12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	-84.46
Dipole, Da:	3.06
IP(EA), eV:	-8.57(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(4-methylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations