Geometry & MOs

Info

ID:	349434
PubChem CID:	127275221
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	33.88
Dipole, Da:	4.62
IP(EA), eV:	-8.6(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]methyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N2C(=NN=N2)CN3CCCC3C4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations