Geometry & MOs

Info

ID:	184426
PubChem CID:	77159687
Reduced:	FN5O5H22C24 (1)
Stoich.:	AB5C5D22E24 (1)
Weight, g/mol:	572.236995
ΔH_f, kcal/mol:	-169.53
Dipole, Da:	12.68
IP(EA), eV:	-9.58(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1(CN2C3=C(O1)C(=CN=C3C(=C(C2=O)C(=O)NCCC#N)O)CC4=CC=C(C=C4)F)C(=O)NC

DOS

IR

Vibrations