Geometry & MOs

Info

ID:	310816
PubChem CID:	126587749
Reduced:	ClNSO2F3C19H19 (1)
Stoich.:	ABCD2E3F19G19 (1)
Weight, g/mol:	423.06814
ΔH_f, kcal/mol:	-215.81
Dipole, Da:	8.59
IP(EA), eV:	-9.03(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-ethoxyphenyl]-N-hydroxycarbamate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2Cl)NC(=S)OC)C(F)(F)F

DOS

IR

Vibrations