Geometry & MOs

Info

ID:	310820
PubChem CID:	126587839
Reduced:	NO4F5C20H20 (1)
Stoich.:	AB4C5D20E20 (1)
Weight, g/mol:	315.1293
ΔH_f, kcal/mol:	-367.04
Dipole, Da:	7.6
IP(EA), eV:	-9.2(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2N(C(=O)OC)O)C(F)F)C(F)(F)F

DOS

IR

Vibrations