Geometry & MOs

Info

ID:	330860
PubChem CID:	127248267
Reduced:	OS2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	416.134068
ΔH_f, kcal/mol:	31.93
Dipole, Da:	3.9
IP(EA), eV:	-8.97(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N(C)C

DOS

IR

Vibrations