Geometry & MOs

Info

ID:	67976
PubChem CID:	46507536
Reduced:	ClO2N3H22C25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	428.120607
ΔH_f, kcal/mol:	-18.21
Dipole, Da:	6.06
IP(EA), eV:	-8.73(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-4-[(3-fluoro-4-methoxyphenyl)methyl]-1,1-dioxo-3H-1lambda6,2,4-benzothiadiazin-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(NC3=CC=CC=C32)C(=O)NCCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations