Geometry & MOs

Info

ID:	216652
PubChem CID:	85086563
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	288.13953
ΔH_f, kcal/mol:	-38.33
Dipole, Da:	3.55
IP(EA), eV:	-9.17(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butyl-3,8a-dimethyl-1,1-dioxo-4,6,7,8-tetrahydro-3H-2,1lambda6-benzoxathiin-7-ol

Drug info:

PubChemData

Smile

CCNC(=O)C1=NOC(=C1)C=CC2=C(CCCC2(C)C)C

DOS

IR

Vibrations