Geometry & MOs

Info

ID:	447354
PubChem CID:	135282213
Reduced:	NSF3O4C15H18 (1)
Stoich.:	ABC3D4E15F18 (1)
Weight, g/mol:	399.02931
ΔH_f, kcal/mol:	-298.23
Dipole, Da:	8.17
IP(EA), eV:	-9.98(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-2-(trifluoromethoxy)phenoxy]-(4-methylpentan-2-yl)carbamic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=C)C)(C(=O)OC)C(F)(F)F

DOS

IR

Vibrations