Geometry & MOs

Info

ID:	34305
PubChem CID:	7890704
Reduced:	NO4H21C22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	363.147058
ΔH_f, kcal/mol:	-105.7
Dipole, Da:	8.41
IP(EA), eV:	-8.6(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-oxopropan-2-yl] 2-hydroxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)[C@@H](C)OC(=O)C3=CC=CC=C3O

DOS

IR

Vibrations