Geometry & MOs

Info

ID:	310776
PubChem CID:	126587419
Reduced:	IC8H13 (1)
Stoich.:	AB8C13 (1)
Weight, g/mol:	373.171165
ΔH_f, kcal/mol:	-4.47
Dipole, Da:	2.31
IP(EA), eV:	-9.21(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC=C([C@@H](C1)I)C

DOS

IR

Vibrations