Geometry & MOs

Info

ID:	311094
PubChem CID:	126589361
Reduced:	NSO3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	363.130443
ΔH_f, kcal/mol:	-65.51
Dipole, Da:	3.53
IP(EA), eV:	-8.62(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl]-N-hydroxycarbamothioate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)N(C(=S)OC)O)COC2=CC(=C(C=C2C)CC)C

DOS

IR

Vibrations