Geometry & MOs

Info

ID:	307887
PubChem CID:	125310545
Reduced:	ClOSN3H20C26 (1)
Stoich.:	ABCD3E20F26 (1)
Weight, g/mol:	457.101561
ΔH_f, kcal/mol:	103.11
Dipole, Da:	5.31
IP(EA), eV:	-9.2(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2[C@@H](N=C3C(=CN=C3C2=O)C4=CC=CC=C4)SCC5=CC(=CC=C5)Cl

DOS

IR

Vibrations