Geometry & MOs

Info

ID:	32512
PubChem CID:	7840638
Reduced:	NO6H17C18 (1)
Stoich.:	AB6C17D18 (1)
Weight, g/mol:	372.132136
ΔH_f, kcal/mol:	-217.99
Dipole, Da:	6.01
IP(EA), eV:	-9.34(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC)O

DOS

IR

Vibrations