Geometry & MOs

Info

ID:	55416
PubChem CID:	17395362
Reduced:	OSN5C19H27 (1)
Stoich.:	ABC5D19E27 (1)
Weight, g/mol:	349.146013
ΔH_f, kcal/mol:	-12.13
Dipole, Da:	0.73
IP(EA), eV:	-8.69(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)CN1CCN(CC1)C2=C3C4=C(CCCC4)SC3=NC=N2

DOS

IR

Vibrations