Geometry & MOs

Info

ID:	311015
PubChem CID:	126588817
Reduced:	NO3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	383.116685
ΔH_f, kcal/mol:	-117.64
Dipole, Da:	3.14
IP(EA), eV:	-8.28(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[[2-(difluoromethyl)-4-ethyl-5-methylphenoxy]methyl]-3-fluorophenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2OCC)N(CC)C(=O)CC)C

DOS

IR

Vibrations