Geometry & MOs

Info

ID:	35834
PubChem CID:	7980385
Reduced:	SN2O3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-36.78
Dipole, Da:	1.48
IP(EA), eV:	-9.25(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)/C=C/C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations