Geometry & MOs

Info

ID:	383280
PubChem CID:	134974914
Reduced:	NC6H11 (2)
Stoich.:	AB6C11 (2)
Weight, g/mol:	544.256013
ΔH_f, kcal/mol:	-12.51
Dipole, Da:	1.84
IP(EA), eV:	-8.25(2.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl [1-(6-chloropyridin-3-yl)-13-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]tridecan-3-yl]sulfanylmethanethioate

Drug info:

PubChemData

Smile

CN1C[C@@H]2CC(C1)C3CCCCN3C2

DOS

IR

Vibrations