Geometry & MOs

Info

ID:	132458
PubChem CID:	51363427
Reduced:	SO3N6C24H28 (1)
Stoich.:	AB3C6D24E28 (1)
Weight, g/mol:	436.130218
ΔH_f, kcal/mol:	-53.52
Dipole, Da:	5.83
IP(EA), eV:	-8.74(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)SC(=N3)N4CCC(CC4)C(=O)NC5CC5)C

DOS

IR

Vibrations