Geometry & MOs

Info

ID:	330809
PubChem CID:	127248216
Reduced:	SO2N6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	430.167477
ΔH_f, kcal/mol:	-4.0
Dipole, Da:	6.7
IP(EA), eV:	-9.02(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N(C)C)N(C)C

DOS

IR

Vibrations