Geometry & MOs

Info

ID:	383114
PubChem CID:	134974663
Reduced:	SN2O2C23H24 (1)
Stoich.:	AB2C2D23E24 (1)
Weight, g/mol:	340.26136
ΔH_f, kcal/mol:	-9.38
Dipole, Da:	3.57
IP(EA), eV:	-8.63(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S,3R,4S)-3-methoxy-2,4-dimethyl-6-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]hept-5-en-1-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2/C(=C/C3=CC=CC=C3)/C(=O)N(C2=S)C4CCCCC4

DOS

IR

Vibrations