Geometry & MOs

Info

ID:	380424
PubChem CID:	134970869
Reduced:	O5C16H16 (1)
Stoich.:	A5B16C16 (1)
Weight, g/mol:	302.115424
ΔH_f, kcal/mol:	-159.24
Dipole, Da:	1.55
IP(EA), eV:	-9.75(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-ethoxy-3-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione

Drug info:

PubChemData

Smile

CC1([C@@H]([C@@H](C2=C(O1)C(=O)C3=CC=CC=C3C2=O)OC)O)C

DOS

IR

Vibrations