Geometry & MOs

Info

ID:	67572
PubChem CID:	46506746
Reduced:	Br2N3O3H17C24 (1)
Stoich.:	A2B3C3D17E24 (1)
Weight, g/mol:	566.084925
ΔH_f, kcal/mol:	-17.19
Dipole, Da:	9.83
IP(EA), eV:	-9.46(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=O)C(=CN2CC(=O)NC3=CC(=CC=C3)Br)C(=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations