Geometry & MOs

Info

ID:	399994
PubChem CID:	135044398
Reduced:	N2O3H10C14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	205.077265
ΔH_f, kcal/mol:	-47.06
Dipole, Da:	2.5
IP(EA), eV:	-9.3(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR)-4a-methyl-4,5,6,7,8,8a-hexahydro-1H-benzo[d]oxathiazine 2,2-dioxide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C(N3C=CC=CC3=N2)C(=O)O)O

DOS

IR

Vibrations