Geometry & MOs

Info

ID:	59608
PubChem CID:	24885226
Reduced:	O6C25H30 (1)
Stoich.:	A6B25C30 (1)
Weight, g/mol:	514.99019
ΔH_f, kcal/mol:	-224.82
Dipole, Da:	7.6
IP(EA), eV:	-9.1(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-chlorophenyl)-5,7-dihydroxy-8-[(2S,3R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one;hydrochloride

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCC1=CC2=C(C=C1)C(=O)C(=O)C(O2)C3=CC(=C(C(=C3)O)O)O

DOS

IR

Vibrations