Geometry & MOs

Info

ID:	303606
PubChem CID:	124489954
Reduced:	N2S2O6C15H16 (1)
Stoich.:	A2B2C6D15E16 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-208.86
Dipole, Da:	3.77
IP(EA), eV:	-9.6(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)[C@H](C2=O)NC(=O)[C@@H](C3=CSC=C3)C(=O)O)C(=O)O)C

DOS

IR

Vibrations