Geometry & MOs

Info

ID:	330914
PubChem CID:	127248321
Reduced:	OSN3C10H12 (2)
Stoich.:	ABC3D10E12 (2)
Weight, g/mol:	449.140927
ΔH_f, kcal/mol:	13.27
Dipole, Da:	4.21
IP(EA), eV:	-9.1(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCN(C)C

DOS

IR

Vibrations