Geometry & MOs

Info

ID:	442602
PubChem CID:	135253288
Reduced:	ClO2N5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	447.037561
ΔH_f, kcal/mol:	-32.88
Dipole, Da:	1.66
IP(EA), eV:	-8.69(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxythiolan-2-yl]methoxy-[(5-nitrofuran-2-yl)methoxy]-oxophosphanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C2Cl)C(=NN3CC4CCN(CC4)C(=O)C)C

DOS

IR

Vibrations