Geometry & MOs

Info

ID:	380426
PubChem CID:	134970872
Reduced:	O5H18C21 (1)
Stoich.:	A5B18C21 (1)
Weight, g/mol:	318.09258
ΔH_f, kcal/mol:	-127.57
Dipole, Da:	1.34
IP(EA), eV:	-9.01(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-ethylsulfanyl-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)OC4=CC=CC=C4)O)C

DOS

IR

Vibrations