Geometry & MOs

Info

ID:	33748
PubChem CID:	7887930
Reduced:	N2O2S2C15H18 (1)
Stoich.:	A2B2C2D15E18 (1)
Weight, g/mol:	399.071134
ΔH_f, kcal/mol:	-57.79
Dipole, Da:	0.62
IP(EA), eV:	-8.63(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-3-nitrophenyl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)OC(C)C

DOS

IR

Vibrations