Geometry & MOs

Info

ID:	32540
PubChem CID:	7842726
Reduced:	N3O4C24H25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	402.103814
ΔH_f, kcal/mol:	-103.86
Dipole, Da:	5.58
IP(EA), eV:	-9.74(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-cyanoanilino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)NC(=O)COC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations