Geometry & MOs

Info

ID:	225815
PubChem CID:	87226404
Reduced:	SSiN6O8C61H68 (1)
Stoich.:	ABC6D8E61F68 (1)
Weight, g/mol:	195.098371
ΔH_f, kcal/mol:	-231.27
Dipole, Da:	10.62
IP(EA), eV:	-8.89(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;N-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-oxidonitrous amide

Drug info:

Smile

CC1=CC(=CC2=C(C(=CN=C12)C(=O)N)NC3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC(=C4)CN(C)C(=O)C5=CC=CC(=C5)CC(C)(C)NCC(C6=C7C=CC(=O)NC7=C(C=C6)OCC8=CC=CC=C8)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations