Geometry & MOs

Info

ID:	370488
PubChem CID:	127339023
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	346.109962
ΔH_f, kcal/mol:	-81.77
Dipole, Da:	0.96
IP(EA), eV:	-9.47(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(C1=O)NC(=O)CCC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations