Geometry & MOs

Info

ID:	126963
PubChem CID:	50985791
Reduced:	NO2S2C20H27 (1)
Stoich.:	AB2C2D20E27 (1)
Weight, g/mol:	361.153407
ΔH_f, kcal/mol:	-84.26
Dipole, Da:	4.83
IP(EA), eV:	-8.74(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)C2C[C@H]3CCC[C@H](C2)C34SCCS4

DOS

IR

Vibrations