Geometry & MOs

Info

ID:	244422
PubChem CID:	99350797
Reduced:	SN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-83.56
Dipole, Da:	7.05
IP(EA), eV:	-8.1(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC[C@H]1CCN(C1)C2=CC=CC=C2OC)NC(=O)C3=CC=CS3

DOS

IR

Vibrations