Geometry & MOs

Info

ID:	330792
PubChem CID:	127248199
Reduced:	SO3N5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	426.183795
ΔH_f, kcal/mol:	-32.36
Dipole, Da:	5.73
IP(EA), eV:	-9.03(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5

DOS

IR

Vibrations