Geometry & MOs

Info

ID:	133509
PubChem CID:	51538146
Reduced:	ClFNOSH15C16 (1)
Stoich.:	ABCDEF15G16 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-59.96
Dipole, Da:	4.04
IP(EA), eV:	-9.19(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-indol-1-ylpropyl)-5-nitro-2-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=C(C=C1)Cl)SC2=CC=CC=C2F

DOS

IR

Vibrations