Geometry & MOs

Info

ID:	35821
PubChem CID:	7980370
Reduced:	NSO7C20H21 (1)
Stoich.:	ABC7D20E21 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-214.69
Dipole, Da:	2.16
IP(EA), eV:	-9.13(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations