Geometry & MOs

Info

ID:	349419
PubChem CID:	127275206
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	369.151098
ΔH_f, kcal/mol:	22.2
Dipole, Da:	4.01
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCN(C1)CC(=O)N2CCN(CC2)C3=NC=CN=C3)C4=CC=CC=C4

DOS

IR

Vibrations