Geometry & MOs

Info

ID:	38852
PubChem CID:	8138051
Reduced:	SN4O4C18H22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	357.157623
ΔH_f, kcal/mol:	-106.84
Dipole, Da:	3.48
IP(EA), eV:	-9.39(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=CN2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations