Geometry & MOs

Info

ID:	392384
PubChem CID:	135015162
Reduced:	NSO2C19H27 (1)
Stoich.:	ABC2D19E27 (1)
Weight, g/mol:	414.167853
ΔH_f, kcal/mol:	-106.03
Dipole, Da:	3.88
IP(EA), eV:	-8.95(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1N2C(=O)C[C@@H](C2=O)CSC(C)(C)C

DOS

IR

Vibrations