Geometry & MOs

Info

ID:	380422
PubChem CID:	134970867
Reduced:	NO4H19C21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	288.099774
ΔH_f, kcal/mol:	-91.49
Dipole, Da:	1.48
IP(EA), eV:	-8.43(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-hydroxy-4-methoxy-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)NC4=CC=CC=C4)O)C

DOS

IR

Vibrations