Geometry & MOs

Info

ID:	143288
PubChem CID:	53180321
Reduced:	ClSN3O4H16C20 (1)
Stoich.:	ABC3D4E16F20 (1)
Weight, g/mol:	429.055005
ΔH_f, kcal/mol:	-75.64
Dipole, Da:	5.69
IP(EA), eV:	-9.04(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methyl]-4-(3-methoxyphenyl)-1,1-dioxopyrido[2,3-e][1,2,4]thiadiazin-3-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C3=C(C=CC=N3)S(=O)(=O)N(C2=O)CC4=CC=CC=C4Cl

DOS

IR

Vibrations