Geometry & MOs

Info

ID:	310973
PubChem CID:	126588655
Reduced:	NF2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	518.93646
ΔH_f, kcal/mol:	-216.43
Dipole, Da:	4.22
IP(EA), eV:	-8.72(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[(2-bromo-4-ethyl-5-methylphenoxy)methyl]-3-iodophenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2NC(=O)OC)C(F)F)CC

DOS

IR

Vibrations