Geometry & MOs

Info

ID:	43410
PubChem CID:	10321251
Reduced:	SN2O2C27H28 (1)
Stoich.:	AB2C2D27E28 (1)
Weight, g/mol:	444.208049
ΔH_f, kcal/mol:	-13.27
Dipole, Da:	5.91
IP(EA), eV:	-8.44(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-[tert-butyl(dimethyl)silyl]oxy-6-(3-nitrophenyl)hept-3-ynyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC4=C3C[C@@H](CC4)N[C@@H](C)C5=CC=CC=C5

DOS

IR

Vibrations