Geometry & MOs

Info

ID:	85625
PubChem CID:	49877762
Reduced:	SO3N4C26H26 (1)
Stoich.:	AB3C4D26E26 (1)
Weight, g/mol:	463.192963
ΔH_f, kcal/mol:	-13.72
Dipole, Da:	4.06
IP(EA), eV:	-8.55(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=C(SC3=C2C=CC=N3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C

DOS

IR

Vibrations