Geometry & MOs

Info

ID:	188856
PubChem CID:	77775335
Reduced:	SN4O6C31H38 (1)
Stoich.:	AB4C6D31E38 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-162.56
Dipole, Da:	6.27
IP(EA), eV:	-9.36(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[6-(2-cyanoethyl)-1H-indol-2-yl]ethyl]piperidine-2-carbonyl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N(C(=O)C(CC=C)N)C(=O)C(CC1=CC=C(C=C1)C2=CC=NO2)N(C)C(=O)C3=CC(=CC(=C3)C)C

DOS

IR

Vibrations