Geometry & MOs

Info

ID:	310920
PubChem CID:	126588491
Reduced:	BrNSO3C18H20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	331.124215
ΔH_f, kcal/mol:	-40.51
Dipole, Da:	2.88
IP(EA), eV:	-8.3(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2Br)N(C(=S)OC)O)C

DOS

IR

Vibrations