Geometry & MOs

Info

ID:	394793
PubChem CID:	135023824
Reduced:	ClSN3H10C16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	422.151809
ΔH_f, kcal/mol:	121.14
Dipole, Da:	3.09
IP(EA), eV:	-9.17(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(furan-2-yl)-3-hydroxy-2-[(R)-hydroxy(naphthalen-2-yl)methyl]-3-naphthalen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(SC3=NC=NN23)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations