Geometry & MOs

Info

ID:	67564
PubChem CID:	46506727
Reduced:	S2N3O4C30H33 (1)
Stoich.:	A2B3C4D30E33 (1)
Weight, g/mol:	552.069275
ΔH_f, kcal/mol:	-88.84
Dipole, Da:	2.57
IP(EA), eV:	-8.24(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(4-chlorophenyl)methyl]-5,5-dioxopyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=CS3)N=C2SCC(=O)N4CCC(CC4)CC5=CC=CC=C5)OC

DOS

IR

Vibrations