Geometry & MOs

Info

ID:	310985
PubChem CID:	126588699
Reduced:	NO3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	347.135528
ΔH_f, kcal/mol:	-127.36
Dipole, Da:	3.05
IP(EA), eV:	-8.46(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(fluoromethyl) N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2NC(=O)OCC)C)C

DOS

IR

Vibrations