Geometry & MOs

Info

ID:	184852
PubChem CID:	77220757
Reduced:	ClS2F3O3N4C44H44 (1)
Stoich.:	AB2C3D3E4F44G44 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-169.75
Dipole, Da:	9.83
IP(EA), eV:	-9.04(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hydroxy-2-methyl-3-phenylpropan-2-yl) carbamate

Drug info:

PubChemData

Smile

CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)C(F)(F)F

DOS

IR

Vibrations