Geometry & MOs

Info

ID:	43813
PubChem CID:	10321824
Reduced:	SN4O5C22H24 (1)
Stoich.:	AB4C5D22E24 (1)
Weight, g/mol:	456.146741
ΔH_f, kcal/mol:	-130.65
Dipole, Da:	8.01
IP(EA), eV:	-8.85(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-5-[(2-methylpropan-2-yl)oxymethyl]-1-(pyridin-4-ylmethyl)pyrrolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3C(=O)C(=O)N(C(=N3)N4CCCCS4(=O)=O)C

DOS

IR

Vibrations