Geometry & MOs

Info

ID:	310924
PubChem CID:	126588502
Reduced:	ClNSO3C18H20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	345.139865
ΔH_f, kcal/mol:	-50.58
Dipole, Da:	2.0
IP(EA), eV:	-9.0(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl]-N-hydroxycarbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2Cl)N(C(=S)OC)O)C

DOS

IR

Vibrations