Geometry & MOs

Info

ID:	310895
PubChem CID:	126588390
Reduced:	INSO2F3H17C18 (1)
Stoich.:	ABCD2E3F17G18 (1)
Weight, g/mol:	369.101034
ΔH_f, kcal/mol:	-179.3
Dipole, Da:	3.9
IP(EA), eV:	-9.01(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2I)NC(=S)OC)C(F)(F)F

DOS

IR

Vibrations