Geometry & MOs

Info

ID:	399213
PubChem CID:	135038756
Reduced:	NO3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	200.123486
ΔH_f, kcal/mol:	-65.42
Dipole, Da:	1.23
IP(EA), eV:	-9.32(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aR)-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxathiine

Drug info:

PubChemData

Smile

C1COC2C1C3=C(N2)C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations