Geometry & MOs

Info

ID:	330908
PubChem CID:	127248315
Reduced:	SO3N5C23H23 (1)
Stoich.:	AB3C5D23E23 (1)
Weight, g/mol:	449.188546
ΔH_f, kcal/mol:	-30.54
Dipole, Da:	5.17
IP(EA), eV:	-9.11(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(1-ethylbenzimidazol-2-yl)methyl]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)CN4C=NC5=CC=CC=C54

DOS

IR

Vibrations