Geometry & MOs

Info

ID:	311023
PubChem CID:	126588835
Reduced:	BrFNSO2C17H17 (1)
Stoich.:	ABCDE2F17G17 (1)
Weight, g/mol:	347.135528
ΔH_f, kcal/mol:	-72.49
Dipole, Da:	1.7
IP(EA), eV:	-9.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[3-ethyl-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2Br)NC(=S)OC)F

DOS

IR

Vibrations