Geometry & MOs

Info

ID:	62960
PubChem CID:	26737802
Reduced:	SN4O5H14C15 (1)
Stoich.:	AB4C5D14E15 (1)
Weight, g/mol:	492.175733
ΔH_f, kcal/mol:	-62.58
Dipole, Da:	4.58
IP(EA), eV:	-9.5(-1.46)
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-(2-methyl-3-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2

DOS

IR

Vibrations