Geometry & MOs

Info

ID:	369452
PubChem CID:	127333430
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	322.146347
ΔH_f, kcal/mol:	-4.1
Dipole, Da:	9.44
IP(EA), eV:	-8.97(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCCN(CC1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

DOS

IR

Vibrations