Geometry & MOs

Info

ID:	330907
PubChem CID:	127248314
Reduced:	SO3N4H22C24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	449.152161
ΔH_f, kcal/mol:	-32.45
Dipole, Da:	1.46
IP(EA), eV:	-9.33(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(benzimidazol-1-yl)acetyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1C2=C(SC3=C2C=CC=N3)C(=O)NCCO)C(=O)C4=CC5=C(C=C4)N=CC=C5

DOS

IR

Vibrations