Geometry & MOs

Info

ID:	430351
PubChem CID:	135170415
Reduced:	SN2F6O6H22C24 (1)
Stoich.:	AB2C6D6E22F24 (1)
Weight, g/mol:	326.220557
ΔH_f, kcal/mol:	-489.37
Dipole, Da:	9.81
IP(EA), eV:	-9.62(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-2-methylbutan-2-yl) N-[3-(cyanatomethyl)-3,5,5-trimethylcyclohexyl]carbamate

Drug info:

PubChemData

Smile

COC1(CC1)C(=O)N2CC3=C([C@@H]2C(=O)NC4=CC=C(C=C4)C(C(F)(F)F)(C(F)(F)F)O)C=CC(=C3)S(=O)(=O)C

DOS

IR

Vibrations