Geometry & MOs

Info

ID:	62369
PubChem CID:	26719641
Reduced:	SN3O3H17C19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	492.175733
ΔH_f, kcal/mol:	19.71
Dipole, Da:	11.81
IP(EA), eV:	-9.27(-1.4)
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-5-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

DOS

IR

Vibrations