Geometry & MOs

Info

ID:	387263
PubChem CID:	134984643
Reduced:	ClNSO6H28C29 (1)
Stoich.:	ABCD6E28F29 (1)
Weight, g/mol:	225.118505
ΔH_f, kcal/mol:	-156.45
Dipole, Da:	7.91
IP(EA), eV:	-9.13(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl-[(1R,2S,3S,4S)-3-nitro-2-bicyclo[2.2.2]oct-5-enyl]silane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@H]2C(=C(C(=O)OC)C(=O)OC)CCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations