Geometry & MOs

Info

ID:	330867
PubChem CID:	127248274
Reduced:	S2N3O3C22H25 (1)
Stoich.:	A2B3C3D22E25 (1)
Weight, g/mol:	417.162332
ΔH_f, kcal/mol:	-65.23
Dipole, Da:	2.8
IP(EA), eV:	-9.12(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

DOS

IR

Vibrations