Geometry & MOs

Info

ID:	328343
PubChem CID:	126700756
Reduced:	BrO2N4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	476.103352
ΔH_f, kcal/mol:	24.5
Dipole, Da:	7.44
IP(EA), eV:	-8.8(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-[(5-ethylsulfonylpyridin-2-yl)methylamino]-8-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]pteridin-7-one

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1OC(=N2)N)C3=NC4=C5N3CCCOC5=CC(=C4)Br

DOS

IR

Vibrations