Geometry & MOs

Info

ID:	34198
PubChem CID:	7890256
Reduced:	NO4H21C25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	397.108086
ΔH_f, kcal/mol:	-77.66
Dipole, Da:	5.14
IP(EA), eV:	-8.78(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl] 3-hydroxybenzoate

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)C(=O)[C@H](C3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)O

DOS

IR

Vibrations