Geometry & MOs

Info

ID:	149145
PubChem CID:	53788817
Reduced:	SN2O4C8H8 (2)
Stoich.:	AB2C4D8E8 (2)
Weight, g/mol:	573.414172
ΔH_f, kcal/mol:	-208.05
Dipole, Da:	5.61
IP(EA), eV:	-8.64(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-cyclopentyl-2-(hexadecylcarbamoyloxy)ethyl] N-acetyl-N-(pyridin-2-ylmethyl)carbamate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C(=O)N1S(=O)(=O)O)NC(=O)C(=NOCC2=CC(=O)C(=CN2)O)C3=CC=CS3

DOS

IR

Vibrations