Geometry & MOs

Info

ID:	310899
PubChem CID:	126588397
Reduced:	NO5C26H29 (1)
Stoich.:	AB5C26D29 (1)
Weight, g/mol:	427.00084
ΔH_f, kcal/mol:	-172.57
Dipole, Da:	2.38
IP(EA), eV:	-9.65(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1C2(CC(=O)CC2(CN1)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations