Geometry & MOs

Info

ID:	214669
PubChem CID:	85083375
Reduced:	FO3N5C32H50 (1)
Stoich.:	AB3C5D32E50 (1)
Weight, g/mol:	573.00528
ΔH_f, kcal/mol:	-213.06
Dipole, Da:	5.84
IP(EA), eV:	-8.87(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetyloxy-5-(5-bromo-2,4-dioxo-1,3-diazinan-1-yl)-3-cyano-3-methylsulfonyloxyoxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)C(CC2=CC=C(C=C2)F)NC(=O)N3CCCN(CC3)C)C4CCCCC4

DOS

IR

Vibrations