Geometry & MOs

Info

ID:	310902
PubChem CID:	126588402
Reduced:	ClINSO2C18H19 (1)
Stoich.:	ABCDE2F18G19 (1)
Weight, g/mol:	417.077712
ΔH_f, kcal/mol:	-37.24
Dipole, Da:	4.12
IP(EA), eV:	-8.86(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-(trifluoromethyl)phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2I)NC(=S)OC)Cl

DOS

IR

Vibrations