Geometry & MOs

Info

ID:	233073
PubChem CID:	87692384
Reduced:	ClFSN3O3H21C22 (1)
Stoich.:	ABCD3E3F21G22 (1)
Weight, g/mol:	201.061278
ΔH_f, kcal/mol:	-102.62
Dipole, Da:	3.1
IP(EA), eV:	-9.02(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl) carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC2=NC(=CC(=C2)OC3=C(C(=CC=C3)Cl)F)NC4=NC=CS4)C(=O)O

DOS

IR

Vibrations