Geometry & MOs

Info

ID:	174851
PubChem CID:	75822631
Reduced:	BrFO2N3C17H20 (1)
Stoich.:	ABC2D3E17F20 (1)
Weight, g/mol:	362.00617
ΔH_f, kcal/mol:	-64.3
Dipole, Da:	5.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.892013
Charge, e:	-1

Chem-info

IUPAC name:

N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-methylbutanimidate

Drug info:

PubChemData

Smile

C1CC[NH+](C1)C(CNC(=O)NC2=C(C=C(C=C2)F)Br)C3=CC=CO3

DOS

IR

Vibrations