Geometry & MOs

Info

ID:	173991
PubChem CID:	75709339
Reduced:	ClN2O2C29H39 (1)
Stoich.:	AB2C2D29E39 (1)
Weight, g/mol:	530.223929
ΔH_f, kcal/mol:	-101.4
Dipole, Da:	7.46
IP(EA), eV:	-9.38(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-N-[2-[(4-methylphenyl)sulfonylmethylamino]-2-oxo-1-phenylethyl]-3-phenylprop-2-ynamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=C(C=C(C=C1)C)C)C(=O)NC2CCCCC2)C(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations