Geometry & MOs

Info

ID:	394877
PubChem CID:	135024018
Reduced:	N3O7C19H23 (1)
Stoich.:	A3B7C19D23 (1)
Weight, g/mol:	466.148849
ΔH_f, kcal/mol:	-190.36
Dipole, Da:	5.56
IP(EA), eV:	-9.52(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[1-(3-nitrodibenzofuran-2-yl)ethylamino]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CN(C(=O)N=C1OCC(C)C2=CC=CC=C2[N+](=O)[O-])[C@H]3C[C@H]([C@H](O3)CO)O

DOS

IR

Vibrations