Geometry & MOs

Info

ID:	67560
PubChem CID:	46506718
Reduced:	S2O3N4H22C26 (1)
Stoich.:	A2B3C4D22E26 (1)
Weight, g/mol:	552.069275
ΔH_f, kcal/mol:	-4.2
Dipole, Da:	2.63
IP(EA), eV:	-8.73(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[6-[(3-methoxyphenyl)methyl]-5,5-dioxopyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C3=CC=CC=C3C(=O)/C(=C\NC4=C5C(=CC=C4)SC6=NCCN56)/S2(=O)=O

DOS

IR

Vibrations