Geometry & MOs

Info

ID:	390443
PubChem CID:	134999171
Reduced:	SSiN3O3C15H22 (1)
Stoich.:	ABC3D3E15F22 (1)
Weight, g/mol:	608.244533
ΔH_f, kcal/mol:	-61.23
Dipole, Da:	3.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.981689
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-butyl-4-methoxy-3-phenyl-5-trimethylsilyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one;carbon monoxide;chromium

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)/C(=N/C(=C/[N+]#N)/O)/SC[Si](C)(C)C)OC

DOS

IR

Vibrations