Geometry & MOs

Info

ID:	328344
PubChem CID:	126700757
Reduced:	ClSO4N6C20H21 (1)
Stoich.:	ABC4D6E20F21 (1)
Weight, g/mol:	533.220909
ΔH_f, kcal/mol:	-58.77
Dipole, Da:	7.15
IP(EA), eV:	-9.1(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-6-[2-(6-ethylsulfonylpyridin-3-yl)ethyl]-8-(2-methylpropyl)pteridin-7-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CN=C(C=C1)CNC2=NC3=CN=C(N=C3N(C2=O)[C@H]4C[C@@H]5CC[C@H]4O5)Cl

DOS

IR

Vibrations