Geometry & MOs

Info

ID:	444757
PubChem CID:	135263433
Reduced:	SN2F3O3H15C19 (1)
Stoich.:	AB2C3D3E15F19 (1)
Weight, g/mol:	335.01571
ΔH_f, kcal/mol:	-204.72
Dipole, Da:	8.89
IP(EA), eV:	-9.31(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-bromo-2-methylphenoxy)methyl]phenyl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC(=CS2)C(F)(F)F)OCC3=CC=CC=C3NC(=O)O

DOS

IR

Vibrations