Geometry & MOs

Info

ID:	85779
PubChem CID:	49879086
Reduced:	OSN4C26H28 (1)
Stoich.:	ABC4D26E28 (1)
Weight, g/mol:	386.120132
ΔH_f, kcal/mol:	54.85
Dipole, Da:	3.24
IP(EA), eV:	-8.69(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)CCNC(=O)C3=C(C4=C(S3)N=CC=C4)N5C=CC=C5

DOS

IR

Vibrations