Geometry & MOs

Info

ID:	320190
PubChem CID:	126658614
Reduced:	SN2O4C14H26 (1)
Stoich.:	AB2C4D14E26 (1)
Weight, g/mol:	544.303618
ΔH_f, kcal/mol:	-202.78
Dipole, Da:	3.7
IP(EA), eV:	-8.53(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S,5S,6R)-5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN1C(OC(C1=O)C(CCSCC)N)C

DOS

IR

Vibrations