Geometry & MOs

Info

ID:	328341
PubChem CID:	126700753
Reduced:	ClSO3N6H15C16 (1)
Stoich.:	ABC3D6E15F16 (1)
Weight, g/mol:	470.096159
ΔH_f, kcal/mol:	-1.28
Dipole, Da:	4.63
IP(EA), eV:	-9.04(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-8-[(1S)-1-cyclopropylethyl]-6-[(5-ethylsulfonyl-4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methylamino]pteridin-7-one

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CN=C(C=C1)CNC2=NC3=CN=C(N=C3N(C2=O)C4CC4)Cl

DOS

IR

Vibrations