Geometry & MOs

Info

ID:	160142
PubChem CID:	57304850
Reduced:	N3O5C30H42 (1)
Stoich.:	A3B5C30D42 (1)
Weight, g/mol:	502.293463
ΔH_f, kcal/mol:	-198.71
Dipole, Da:	5.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755780
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1R)-2-oxocyclopentyl]-10-(2-trimethylsilylethynyl)-10-trimethylsilyloxypentadec-8-en-5-ynoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CCC[N+]1(C(=O)[C@@](C)(CC2=CNC3=CC=CC=C32)NC(=O)OC4CC5CCC4(C5(C)C)C)C(=O)OC

DOS

IR

Vibrations