Geometry & MOs

Info

ID:	155732
PubChem CID:	56367252
Reduced:	ClSF2N2O3H17C19 (1)
Stoich.:	ABC2D2E3F17G19 (1)
Weight, g/mol:	461.206304
ΔH_f, kcal/mol:	-191.29
Dipole, Da:	4.75
IP(EA), eV:	-8.88(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-methyl-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=C(C(=CC=C3)Cl)SC(F)F

DOS

IR

Vibrations