Geometry & MOs

Info

ID:	23601
PubChem CID:	604970
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	-113.57
Dipole, Da:	6.32
IP(EA), eV:	-8.78(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-3-(2-anilino-2-oxoethyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CSCC(=O)NC1=CC=CC=C1)N

DOS

IR

Vibrations