Geometry & MOs

Info

ID:	33293
PubChem CID:	7885863
Reduced:	S2O3N4H16C18 (1)
Stoich.:	A2B3C4D16E18 (1)
Weight, g/mol:	369.114713
ΔH_f, kcal/mol:	14.7
Dipole, Da:	3.79
IP(EA), eV:	-8.72(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NN=C(O3)C4=CC=CO4)CC=C)C

DOS

IR

Vibrations