Geometry & MOs

Info

ID:	145096
PubChem CID:	53460858
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	436.171517
ΔH_f, kcal/mol:	17.73
Dipole, Da:	3.31
IP(EA), eV:	-8.56(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-diethoxyethylsulfanyl)-16-methyl-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,13(18)-tetraene

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N(C2C3=CC=CC=C3[N+](=O)[O-])C4=CC=C(C=C4)C)NN1

DOS

IR

Vibrations