Geometry & MOs

Info

ID:	84247
PubChem CID:	49865100
Reduced:	SN4O6C17H18 (1)
Stoich.:	AB4C6D17E18 (1)
Weight, g/mol:	429.143704
ΔH_f, kcal/mol:	-13.7
Dipole, Da:	5.08
IP(EA), eV:	-10.03(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-5-ylphenyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC1CN(CC2=CC=CC=C2)C3=C(C=C(C=C3[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations