Geometry & MOs

Info

ID:	424806
PubChem CID:	135124001
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	225.08235
ΔH_f, kcal/mol:	-80.89
Dipole, Da:	4.32
IP(EA), eV:	-9.03(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-ethyl-2,3,4,5-tetrahydro-1lambda6,2-benzothiazepine 1,1-dioxide

Drug info:

PubChemData

Smile

CCOC(=O)COC1=CC=CC2=NC(=C(N=C21)C)C

DOS

IR

Vibrations