Geometry & MOs

Info

ID:	38077
PubChem CID:	8026824
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	-6.61
Dipole, Da:	6.98
IP(EA), eV:	-9.16(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)CC2=NNC(=O)C3=CC=CC=C32)C4=CC=CS4

DOS

IR

Vibrations