Geometry & MOs

Info

ID:	134189
PubChem CID:	51660210
Reduced:	O2F3N5C21H28 (1)
Stoich.:	A2B3C5D21E28 (1)
Weight, g/mol:	432.07107
ΔH_f, kcal/mol:	-214.07
Dipole, Da:	8.87
IP(EA), eV:	-9.77(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(3-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

CCN(C1CCCC2C1CCCC2)C(=O)CN3C(=CC(=O)N4C3=NC(=N4)C(F)(F)F)C

DOS

IR

Vibrations