Geometry & MOs

Info

ID:	133105
PubChem CID:	51477652
Reduced:	ClFSN2O4H18C19 (1)
Stoich.:	ABCD2E4F18G19 (1)
Weight, g/mol:	491.253255
ΔH_f, kcal/mol:	-186.48
Dipole, Da:	6.29
IP(EA), eV:	-9.01(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)OCC(=O)NC1=CC=C(C=C1)Cl)SCC(=O)NC2=CC=C(C=C2)F

DOS

IR

Vibrations