Geometry & MOs

Info

ID:	27905
PubChem CID:	824097
Reduced:	N2O3H10C11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	343.081305
ΔH_f, kcal/mol:	-14.0
Dipole, Da:	5.76
IP(EA), eV:	-9.36(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-benzyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C=CC2=CC=CO2

DOS

IR

Vibrations