Geometry & MOs

Info

ID:	336304
PubChem CID:	127255311
Reduced:	SCl2O2N3H13C14 (1)
Stoich.:	AB2C2D3E13F14 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	-21.84
Dipole, Da:	4.38
IP(EA), eV:	-8.72(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyrrol-1-ylbutan-1-one

Drug info:

PubChemData

Smile

CN1C(=C2CSCC2=N1)NC(=O)COC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations