Geometry & MOs

Info

ID:	67929
PubChem CID:	46507449
Reduced:	SN2O3C25H26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	414.08497
ΔH_f, kcal/mol:	-67.77
Dipole, Da:	5.63
IP(EA), eV:	-9.35(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-4-[(3,5-difluorophenyl)methyl]-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3S(=O)(=O)N(C2=O)CC4=CC=CC=C4

DOS

IR

Vibrations