Geometry & MOs

Info

ID:	311031
PubChem CID:	126588858
Reduced:	BrFNSO2C18H19 (1)
Stoich.:	ABCDE2F18G19 (1)
Weight, g/mol:	361.151178
ΔH_f, kcal/mol:	-86.24
Dipole, Da:	3.33
IP(EA), eV:	-8.34(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2Br)NC(=S)OCF)C

DOS

IR

Vibrations