Geometry & MOs

Info

ID:	217301
PubChem CID:	85087581
Reduced:	SN2O3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	350.191566
ΔH_f, kcal/mol:	-115.92
Dipole, Da:	5.92
IP(EA), eV:	-8.71(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-1-(4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxathiin-2-yl)propane-1,2-diol

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=CC=C1)N2CCNC(C2=O)CCSC

DOS

IR

Vibrations