Geometry & MOs

Info

ID:	393905
PubChem CID:	135021936
Reduced:	O2C7H11 (2)
Stoich.:	A2B7C11 (2)
Weight, g/mol:	327.092915
ΔH_f, kcal/mol:	-160.98
Dipole, Da:	3.02
IP(EA), eV:	-9.17(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanethioic S-acid

Drug info:

PubChemData

Smile

CC#CC(C)O/C(=C/COC(=O)C)/CCCCO

DOS

IR

Vibrations