Geometry & MOs

Info

ID:	390347
PubChem CID:	134998611
Reduced:	N2S2O3C21H22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	288.185608
ΔH_f, kcal/mol:	-17.86
Dipole, Da:	2.84
IP(EA), eV:	-8.25(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R,6R)-5-chloro-10,10-dimethyl-2-pentan-3-yl-1,7-dioxaspiro[5.5]undecane

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H](N(O1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C(=O)N4CCSC4=S

DOS

IR

Vibrations