Geometry & MOs

Info

ID:	436512
PubChem CID:	135204759
Reduced:	ClN2O6C23H23 (1)
Stoich.:	AB2C6D23E23 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	-155.57
Dipole, Da:	5.86
IP(EA), eV:	-9.27(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(2-acetamidopyridin-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CN(C(=O)C=C1C2=C(C=CC(=C2)Cl)C3=NOC=C3)C(C[C@@H]4CCCCO4)C(=O)O

DOS

IR

Vibrations