Geometry & MOs

Info

ID:	307886
PubChem CID:	125310543
Reduced:	O4N5C11H15 (1)
Stoich.:	A4B5C11D15 (1)
Weight, g/mol:	457.101561
ΔH_f, kcal/mol:	-118.79
Dipole, Da:	2.24
IP(EA), eV:	-9.05(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-chlorophenyl)methylsulfanyl]-3-(3-methylphenyl)-7-phenyl-2H-pyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](O[C@@H]1N2C(=NC3=C(N=CN=C32)N)CO)CO)O

DOS

IR

Vibrations