Geometry & MOs

Info

ID:	72495
PubChem CID:	48416237
Reduced:	SN2O5C18H24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	410.184172
ΔH_f, kcal/mol:	-200.75
Dipole, Da:	2.64
IP(EA), eV:	-8.68(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(4-cyanophenoxy)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CN2CSCC2=O)C(=O)OC

DOS

IR

Vibrations