Geometry & MOs

Info

ID:	30059
PubChem CID:	839383
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-145.13
Dipole, Da:	2.9
IP(EA), eV:	-8.93(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]-5-methylbenzoic acid

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=CC=C1OCC(=O)NC2=C(C=C(C=C2)C)C(=O)O

DOS

IR

Vibrations