Geometry & MOs

Info

ID:	387336
PubChem CID:	134984978
Reduced:	FSN2O3C19H25 (1)
Stoich.:	ABC2D3E19F25 (1)
Weight, g/mol:	404.97714
ΔH_f, kcal/mol:	-162.61
Dipole, Da:	8.05
IP(EA), eV:	-9.74(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl N-[1-(4-fluorophenyl)-2-methyl-1-oxobutan-2-yl]sulfamate

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@@]13CS(=O)(=O)N([C@H]3C2)C(=O)[C@H](CC4=CC=CC=C4F)N)C

DOS

IR

Vibrations