Geometry & MOs

Info

ID:	193043
PubChem CID:	78337579
Reduced:	SO2N5C11H21 (1)
Stoich.:	AB2C5D11E21 (1)
Weight, g/mol:	464.180818
ΔH_f, kcal/mol:	-62.57
Dipole, Da:	3.88
IP(EA), eV:	-8.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-benzyl-7-ethyl-2,6-dioxo-4,5-dihydropurin-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)C1C(=O)NC(=S)N(N1)C

DOS

IR

Vibrations