Geometry & MOs

Info

ID:	62230
PubChem CID:	26718477
Reduced:	N2O3H9C12 (2)
Stoich.:	A2B3C9D12 (2)
Weight, g/mol:	413.07939
ΔH_f, kcal/mol:	-64.9
Dipole, Da:	4.91
IP(EA), eV:	-9.11(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations