Geometry & MOs

Info

ID:	72511
PubChem CID:	48416254
Reduced:	NSO6C21H25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	339.150429
ΔH_f, kcal/mol:	-219.67
Dipole, Da:	5.09
IP(EA), eV:	-9.01(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-(2-methylsulfanylpropanoylamino)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C(=O)OC

DOS

IR

Vibrations