Geometry & MOs

Info

ID:	327653
PubChem CID:	126690647
Reduced:	SO3N5C18H25 (1)
Stoich.:	AB3C5D18E25 (1)
Weight, g/mol:	331.98303
ΔH_f, kcal/mol:	-86.69
Dipole, Da:	7.34
IP(EA), eV:	-9.02(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-2-but-3-enyl-3,4-dihydropyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide

Drug info:

PubChemData

Smile

CCCCNS(=O)(=O)C1=C(C(=CN=C1NC)C2=CC(=NC=C2)NC(=O)C)C

DOS

IR

Vibrations