Geometry & MOs

Info

ID:	397072
PubChem CID:	135029687
Reduced:	NSO3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	363.183444
ΔH_f, kcal/mol:	-37.73
Dipole, Da:	3.83
IP(EA), eV:	-9.13(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[pentanoyl(3-phenylprop-1-ynyl)amino]ethyl benzoate

Drug info:

PubChemData

Smile

CCCCC(=O)N(CCOC(=O)C1=CC=CC=C1)C#CC2=CC=CS2

DOS

IR

Vibrations