Geometry & MOs

Info

ID:	330936
PubChem CID:	127248343
Reduced:	SO3N5C21H25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	448.156912
ΔH_f, kcal/mol:	-65.36
Dipole, Da:	5.02
IP(EA), eV:	-9.18(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[1-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO)C

DOS

IR

Vibrations