Geometry & MOs

Info

ID:	330921
PubChem CID:	127248328
Reduced:	SN4O4C22H24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	425.140927
ΔH_f, kcal/mol:	-93.31
Dipole, Da:	2.72
IP(EA), eV:	-9.17(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(2-methoxyphenoxy)acetyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5

DOS

IR

Vibrations