Geometry & MOs

Info

ID:	310986
PubChem CID:	126588702
Reduced:	FNSO2C19H22 (1)
Stoich.:	ABCD2E19F22 (1)
Weight, g/mol:	473.03218
ΔH_f, kcal/mol:	-97.15
Dipole, Da:	4.38
IP(EA), eV:	-8.3(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(fluoromethyl) N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-iodophenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=CC=CC=C2NC(=S)OCF)C

DOS

IR

Vibrations