Geometry & MOs

Info

ID:	184652
PubChem CID:	77188705
Reduced:	SiN3O5C39H53 (1)
Stoich.:	AB3C5D39E53 (1)
Weight, g/mol:	251.098
ΔH_f, kcal/mol:	-162.0
Dipole, Da:	10.41
IP(EA), eV:	-9.14(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-pyridin-2-ylsulfanylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC(CN(CCC1=CC=C(C=C1)[N+](=O)[O-])CC2=CC=CC=C2)C3CCC(C4C3CCC(=O)N4)OCC5=CC=CC=C5

DOS

IR

Vibrations