Geometry & MOs

Info

ID:	84467
PubChem CID:	49866521
Reduced:	SN4O5C18H20 (1)
Stoich.:	AB4C5D18E20 (1)
Weight, g/mol:	282.125594
ΔH_f, kcal/mol:	-118.39
Dipole, Da:	3.22
IP(EA), eV:	-8.45(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-(9H-fluoren-2-yl)-3-hydroxypentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2N=C(C3=CC=CC=C3N2NN1)S[C@H](C(=O)C)C(=O)OCC

DOS

IR

Vibrations