Geometry & MOs

Info

ID:	386560
PubChem CID:	134982154
Reduced:	OC19H20 (1)
Stoich.:	AB19C20 (1)
Weight, g/mol:	630.304652
ΔH_f, kcal/mol:	18.53
Dipole, Da:	1.96
IP(EA), eV:	-8.5(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonyl)-2-[(1R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexyl]-1-[(4S,5R,6S)-6-ethenyl-5-methyl-2-phenyl-1,3-dioxan-4-yl]ethanol

Drug info:

PubChemData

Smile

CC(=C/C=C/C1=CC=C(C=C1)OCC2=CC=CC=C2)C

DOS

IR

Vibrations