Geometry & MOs

Info

ID:	447037
PubChem CID:	135279738
Reduced:	PS2C3H7 (1)
Stoich.:	AB2C3D7 (1)
Weight, g/mol:	334.214409
ΔH_f, kcal/mol:	-17.9
Dipole, Da:	1.81
IP(EA), eV:	-8.98(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,7S,9E,13R,15S,16R)-16-hydroxy-16-(hydroxymethyl)-3-methyl-6-propan-2-yl-12-oxatetracyclo[11.2.1.03,7.010,15]hexadec-9-en-11-one

Drug info:

PubChemData

Smile

CC1SCPS1

DOS

IR

Vibrations