Geometry & MOs

Info

ID:	311020
PubChem CID:	126588831
Reduced:	NSF2O2C17H17 (1)
Stoich.:	ABC2D2E17F17 (1)
Weight, g/mol:	319.104228
ΔH_f, kcal/mol:	-121.1
Dipole, Da:	2.19
IP(EA), eV:	-8.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2F)NC(=S)OC)F

DOS

IR

Vibrations