Geometry & MOs

Info

ID:	405285
PubChem CID:	135073340
Reduced:	O2S2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	386.209324
ΔH_f, kcal/mol:	-0.48
Dipole, Da:	6.52
IP(EA), eV:	-8.18(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[(1R,2R,5S)-2-(3-methoxy-3-oxoprop-1-ynyl)-6-oxabicyclo[3.1.0]hexan-3-yl]propyl] (Z)-undec-6-en-9-ynoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=C(SC)S(=O)C)C2=CC=CC=C2

DOS

IR

Vibrations