Geometry & MOs

Info

ID:	218256
PubChem CID:	85089096
Reduced:	N3O10C18H25 (1)
Stoich.:	A3B10C18D25 (1)
Weight, g/mol:	443.155331
ΔH_f, kcal/mol:	-374.05
Dipole, Da:	6.11
IP(EA), eV:	-10.07(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3,4-dihydroxy-5-[6-imino-1-[(2-nitrophenyl)methyl]purin-9-yl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1C(O1)C(=O)NCC(C(=O)ON2C(=O)CCC2=O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations