Geometry & MOs

Info

ID:	330796
PubChem CID:	127248203
Reduced:	SN4O4C22H26 (1)
Stoich.:	AB4C4D22E26 (1)
Weight, g/mol:	441.147075
ΔH_f, kcal/mol:	-92.15
Dipole, Da:	2.72
IP(EA), eV:	-9.36(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(C)C)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations