Geometry & MOs

Info

ID:	143131
PubChem CID:	53150987
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	386.104876
ΔH_f, kcal/mol:	-80.08
Dipole, Da:	5.94
IP(EA), eV:	-8.8(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylphenyl)-4,4-dioxopyrido[2,3-e][1,3,4]thiadiazin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)N2CCC(CC2)CCOC3=CN=CC=C3

DOS

IR

Vibrations