Geometry & MOs

Info

ID:	122163
PubChem CID:	50796527
Reduced:	O2N5C29H33 (1)
Stoich.:	A2B5C29D33 (1)
Weight, g/mol:	411.035891
ΔH_f, kcal/mol:	8.02
Dipole, Da:	2.63
IP(EA), eV:	-8.52(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[(3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl)sulfonyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC=CN4C3=CC(=N4)C5=CC(=C(C=C5)C)C

DOS

IR

Vibrations