Geometry & MOs

Info

ID:	125049
PubChem CID:	50908111
Reduced:	O4C23H38 (1)
Stoich.:	A4B23C38 (1)
Weight, g/mol:	328.131074
ΔH_f, kcal/mol:	-225.61
Dipole, Da:	4.01
IP(EA), eV:	-9.69(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] (E)-pent-2-enoate

Drug info:

PubChemData

Smile

CC(C)[C@@]12CC[C@@H](C(=O)[C@@H]1OC(O2)(C)C)[C@]3(CCCC([C@@H]3CC=O)(C)C)C

DOS

IR

Vibrations