Geometry & MOs

Info

ID:	330930
PubChem CID:	127248337
Reduced:	SO2N3C26H29 (1)
Stoich.:	AB2C3D26E29 (1)
Weight, g/mol:	426.183795
ΔH_f, kcal/mol:	-5.45
Dipole, Da:	3.39
IP(EA), eV:	-9.02(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-[1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5

DOS

IR

Vibrations