Geometry & MOs

Info

ID:	236856
PubChem CID:	92715048
Reduced:	SN4O4C21H22 (1)
Stoich.:	AB4C4D21E22 (1)
Weight, g/mol:	476.188212
ΔH_f, kcal/mol:	-28.73
Dipole, Da:	4.1
IP(EA), eV:	-8.59(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-[(3S)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazin-3-yl]phenyl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC5=NON=C54

DOS

IR

Vibrations