Geometry & MOs

Info

ID:	328340
PubChem CID:	126700751
Reduced:	SO2H10C12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	406.061487
ΔH_f, kcal/mol:	-30.2
Dipole, Da:	4.14
IP(EA), eV:	-9.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-8-cyclopropyl-6-[(5-methylsulfonylpyridin-2-yl)methylamino]pteridin-7-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)C2=CC=CS2)O

DOS

IR

Vibrations