Geometry & MOs

Info

ID:	187932
PubChem CID:	77644979
Reduced:	N2C29H48 (1)
Stoich.:	A2B29C48 (1)
Weight, g/mol:	505.14382
ΔH_f, kcal/mol:	-39.5
Dipole, Da:	4.53
IP(EA), eV:	-9.27(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(3-oxooxan-2-yl)pyrazin-2-yl]propanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC(C)C1=CC=CC=C1N2C=CN=C2

DOS

IR

Vibrations