Geometry & MOs

Info

ID:	380429
PubChem CID:	134970875
Reduced:	SO4H18C21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-93.41
Dipole, Da:	2.58
IP(EA), eV:	-8.98(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-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)SC4=CC=CC=C4)O)C

DOS

IR

Vibrations