Geometry & MOs

Info

ID:	414034
PubChem CID:	135086987
Reduced:	O2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	348.114378
ΔH_f, kcal/mol:	-28.39
Dipole, Da:	1.72
IP(EA), eV:	-8.97(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[methyl(pyridin-2-ylsulfonyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)O/C=C\C2=CC=CC=C2

DOS

IR

Vibrations