Geometry & MOs

Info

ID:	63166
PubChem CID:	26746567
Reduced:	SN3O7C24H25 (1)
Stoich.:	AB3C7D24E25 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-178.82
Dipole, Da:	3.64
IP(EA), eV:	-9.14(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations