Geometry & MOs

Info

ID:	302001
PubChem CID:	123108934
Reduced:	NSO5C20H23 (1)
Stoich.:	ABC5D20E23 (1)
Weight, g/mol:	387.150429
ΔH_f, kcal/mol:	-164.9
Dipole, Da:	2.9
IP(EA), eV:	-8.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-[[2-oxo-2-(1-phenylethylamino)ethyl]sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CS(=O)CC2=CC=C(C=C2)C(=O)OCC

DOS

IR

Vibrations