Geometry & MOs

Info

ID:	177006
PubChem CID:	76124316
Reduced:	SN3O6C14H20 (1)
Stoich.:	AB3C6D14E20 (1)
Weight, g/mol:	336.157288
ΔH_f, kcal/mol:	-222.38
Dipole, Da:	5.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.963489
Charge, e:	0

Chem-info

IUPAC name:

(1,2,6,8-tetramethyl-11-phenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl)methanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1C(N(C1=O)S(=O)(=O)O)C[N+]2=CC=CC=C2

DOS

IR

Vibrations