Geometry & MOs

Info

ID:	37207
PubChem CID:	8018241
Reduced:	ClSN2O3H13C17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	251.094629
ΔH_f, kcal/mol:	-65.11
Dipole, Da:	1.49
IP(EA), eV:	-9.17(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-phenylethyl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

COC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)Cl

DOS

IR

Vibrations