Geometry & MOs

Info

ID:	48277
PubChem CID:	10538553
Reduced:	ClSH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	34.98
Dipole, Da:	3.99
IP(EA), eV:	-8.96(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N,2-dihydroxy-N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(SC2=CC=CC=C2)Cl

DOS

IR

Vibrations