Geometry & MOs

Info

ID:	310903
PubChem CID:	126588403
Reduced:	ClNSO2F3C19H19 (1)
Stoich.:	ABCD2E3F19G19 (1)
Weight, g/mol:	377.121628
ΔH_f, kcal/mol:	-199.72
Dipole, Da:	4.3
IP(EA), eV:	-8.82(-1.01)
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-ethylphenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2NC(=S)OC)C(F)(F)F)Cl

DOS

IR

Vibrations