Geometry & MOs

Info

ID:	180722
PubChem CID:	76674624
Reduced:	YS2N3O3C18H20 (1)
Stoich.:	AB2C3D3E18F20 (1)
Weight, g/mol:	357.103479
ΔH_f, kcal/mol:	92.17
Dipole, Da:	48.68
IP(EA), eV:	-5.59(-4.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzamido-3-benzoylsulfanylpropanoate

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)N2C(C(=O)N(C2=O)C)CCSC3=NC=[C-]S3)O.[Y]

DOS

IR

Vibrations