Geometry & MOs

Info

ID:	398371
PubChem CID:	135033005
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	436.26136
ΔH_f, kcal/mol:	-53.73
Dipole, Da:	3.07
IP(EA), eV:	-9.25(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R,5R,16S)-14-(4-methoxyphenyl)-1,4-dimethyl-5-propan-2-yl-13,15-dioxapentacyclo[8.8.0.02,8.04,8.011,16]octadec-10-en-7-one

Drug info:

PubChemData

Smile

CCOC(=O)NC1=N[C@H](CS1)CC2=CC=CC=C2

DOS

IR

Vibrations