Geometry & MOs

Info

ID:	237270
PubChem CID:	92718068
Reduced:	ClSN2O3H17C23 (1)
Stoich.:	ABC2D3E17F23 (1)
Weight, g/mol:	434.103335
ΔH_f, kcal/mol:	-30.18
Dipole, Da:	3.79
IP(EA), eV:	-9.56(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C2=CC=C(C=C2)Cl)NC(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations