Geometry & MOs

Info

ID:	311034
PubChem CID:	126588870
Reduced:	FNSO3C19H22 (1)
Stoich.:	ABCD3E19F22 (1)
Weight, g/mol:	373.171165
ΔH_f, kcal/mol:	-133.42
Dipole, Da:	6.45
IP(EA), eV:	-8.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylcarbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2OC)NC(=S)OCF)C

DOS

IR

Vibrations