Geometry & MOs

Info

ID:	448762
PubChem CID:	135293440
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	252.085855
ΔH_f, kcal/mol:	2.04
Dipole, Da:	2.75
IP(EA), eV:	-9.25(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-3-carbonitrile

Drug info:

PubChemData

Smile

CCN=C(C1=CN=C(C=C1N)NC(=O)NCC(C)C2=CC=CC=C2)N

DOS

IR

Vibrations