Geometry & MOs

Info

ID:	367929
PubChem CID:	127326103
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	355.135448
ΔH_f, kcal/mol:	49.28
Dipole, Da:	6.34
IP(EA), eV:	-9.07(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methyl-4-phenylpyrrolidin-1-yl)methyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

CC1CC(CN1CC2=NN=C3N2C4=C(C=C(C=C4)C)C(=O)N3C)C5=CC=CC=C5

DOS

IR

Vibrations