Geometry & MOs

Info

ID:	126962
PubChem CID:	50985685
Reduced:	BrClN3O4H21C24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	377.148321
ΔH_f, kcal/mol:	-103.33
Dipole, Da:	3.92
IP(EA), eV:	-8.96(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'R,5'R)-N-[(2-methoxyphenyl)methyl]spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCC(=O)NCC2=CC=C(C=C2)Cl)OCC(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations