Geometry & MOs

Info

ID:	150388
PubChem CID:	53790077
Reduced:	ClSN3O3C25H34 (1)
Stoich.:	ABC3D3E25F34 (1)
Weight, g/mol:	592.59068
ΔH_f, kcal/mol:	-97.59
Dipole, Da:	8.84
IP(EA), eV:	-8.39(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(hexadecanoylamino)-3-methylpentyl]hexadecanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)NCC2CCN(CC2)CCCCCS(=O)C3=CC=CC=C3)Cl)N

DOS

IR

Vibrations