Geometry & MOs

Info

ID:	62365
PubChem CID:	26719636
Reduced:	N2O4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	412.120526
ΔH_f, kcal/mol:	-29.11
Dipole, Da:	9.85
IP(EA), eV:	-9.11(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(2-methyl-5-nitrophenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC3=CC=CC=C3OC2

DOS

IR

Vibrations