Geometry & MOs

Info

ID:	436547
PubChem CID:	135205194
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	408.135304
ΔH_f, kcal/mol:	-41.2
Dipole, Da:	6.81
IP(EA), eV:	-9.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenyl)-1-[(2S)-1-cyanopyrrolidine-2-carbonyl]-N-methyl-2,3-dihydroindole-6-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(CN(C3)C(=O)[C@@H]4CCCN4C#N)C=C2

DOS

IR

Vibrations