Geometry & MOs

Info

ID:	13957
PubChem CID:	400830
Reduced:	ClSO2N4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	398.060425
ΔH_f, kcal/mol:	47.8
Dipole, Da:	7.04
IP(EA), eV:	-9.19(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methyl]-7-(4-methoxyphenyl)-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN3C(=O)C(=NN=C3SC2)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations