Geometry & MOs

Info

ID:	407815
PubChem CID:	135080570
Reduced:	NSO2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	228.055322
ΔH_f, kcal/mol:	31.67
Dipole, Da:	4.66
IP(EA), eV:	-8.73(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate

Drug info:

PubChemData

Smile

C1C=CSC1C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations