Geometry & MOs

Info

ID:	44017
PubChem CID:	10322918
Reduced:	N4O5C25H44 (1)
Stoich.:	A4B5C25D44 (1)
Weight, g/mol:	480.123419
ΔH_f, kcal/mol:	-268.12
Dipole, Da:	4.26
IP(EA), eV:	-9.35(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[5-(2-amino-1-hydroxy-2-oxoethyl)pyrazin-2-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CN2C=CN=C2)NC(=O)OC(C)(C)C)O)O

DOS

IR

Vibrations