Geometry & MOs

Info

ID:	335642
PubChem CID:	127254504
Reduced:	SN2O3H22C23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	353.190341
ΔH_f, kcal/mol:	-57.86
Dipole, Da:	4.01
IP(EA), eV:	-8.82(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-6-pyrrol-1-ylhexan-1-one

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)OC)NC(=O)C2=CC3=C(C(=O)S2)NC4=CC=CC=C43

DOS

IR

Vibrations