Geometry & MOs

Info

ID:	173992
PubChem CID:	75709819
Reduced:	SN2O4C31H34 (1)
Stoich.:	AB2C4D31E34 (1)
Weight, g/mol:	412.308979
ΔH_f, kcal/mol:	-57.71
Dipole, Da:	0.93
IP(EA), eV:	-9.48(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-ethyl-2-[hexyl(3-phenylprop-2-ynoyl)amino]pentanamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=CC=CC=C1)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C#CC3=CC=CC=C3

DOS

IR

Vibrations