Geometry & MOs

Info

ID:	302024
PubChem CID:	123110966
Reduced:	NSO4C17H25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	387.150429
ΔH_f, kcal/mol:	-168.23
Dipole, Da:	2.2
IP(EA), eV:	-9.05(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 3-[[2-oxo-2-(1-phenylethylamino)ethyl]sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

CCCCNC(=O)CS(=O)CC1=CC(=CC=C1)C(=O)OCCC

DOS

IR

Vibrations