Geometry & MOs

Info

ID:	444662
PubChem CID:	135263164
Reduced:	BrNSO2C17H22 (1)
Stoich.:	ABCD2E17F22 (1)
Weight, g/mol:	301.112564
ΔH_f, kcal/mol:	-50.44
Dipole, Da:	3.18
IP(EA), eV:	-8.26(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoro-3-formyl-2-methylphenoxy)ethyl-(3-fluoropropyl)carbamic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NS(=O)C(C)(C)C)Br

DOS

IR

Vibrations