Geometry & MOs

Info

ID:	67587
PubChem CID:	46506772
Reduced:	Cl2S2O3N4H18C25 (1)
Stoich.:	A2B2C3D4E18F25 (1)
Weight, g/mol:	598.114476
ΔH_f, kcal/mol:	-17.47
Dipole, Da:	6.29
IP(EA), eV:	-9.02(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=NC(=NC=C3S(=O)(=O)N2CC4=CC=C(C=C4)Cl)SCC(=O)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations