Geometry & MOs

Info

ID:	328330
PubChem CID:	126700729
Reduced:	NO4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	602.167157
ΔH_f, kcal/mol:	-178.56
Dipole, Da:	6.81
IP(EA), eV:	-10.1(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-[(5-ethylsulfonylpyridin-2-yl)methylamino]-8-[(1S)-2-(trifluoromethyl)cyclopropyl]pteridin-7-one

Drug info:

PubChemData

Smile

CN(CC(=O)O)C(=O)OC\1CCCCC/C=C1

DOS

IR

Vibrations