Geometry & MOs

Info

ID:	330940
PubChem CID:	127248347
Reduced:	SO2N5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	444.128983
ΔH_f, kcal/mol:	6.93
Dipole, Da:	2.89
IP(EA), eV:	-9.13(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5

DOS

IR

Vibrations