Geometry & MOs

Info

ID:	310855
PubChem CID:	126588209
Reduced:	INSO3C19H22 (1)
Stoich.:	ABCD3E19F22 (1)
Weight, g/mol:	379.100892
ΔH_f, kcal/mol:	-48.82
Dipole, Da:	0.75
IP(EA), eV:	-8.52(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl N-[3-chloro-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2I)N(C(=O)SC)O)C

DOS

IR

Vibrations