Geometry & MOs

Info

ID:	394876
PubChem CID:	135024017
Reduced:	N3O7C24H29 (1)
Stoich.:	A3B7C24D29 (1)
Weight, g/mol:	405.1536
ΔH_f, kcal/mol:	-258.73
Dipole, Da:	4.93
IP(EA), eV:	-8.49(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-[2-(2-nitrophenyl)propoxy]pyrimidin-2-one

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)COC3=NC(=O)N(C=C3C)[C@H]4C[C@H]([C@H](O4)CO)O

DOS

IR

Vibrations