Geometry & MOs

Info

ID:	172539
PubChem CID:	75522848
Reduced:	SO2N4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	333.139865
ΔH_f, kcal/mol:	21.24
Dipole, Da:	2.73
IP(EA), eV:	-9.47(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-(3-ethylsulfonylphenyl)-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CS(=O)(=O)NC2=NN=CN2C3=CC=CC=C3

DOS

IR

Vibrations