Geometry & MOs

Info

ID:	310897
PubChem CID:	126588395
Reduced:	NSO2F4H17C18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	399.111599
ΔH_f, kcal/mol:	-242.44
Dipole, Da:	5.08
IP(EA), eV:	-9.07(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-methoxyphenyl]carbamothioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations