Geometry & MOs

Info

ID:	315631
PubChem CID:	126628270
Reduced:	P3N5C11O13H18 (1)
Stoich.:	A3B5C11D13E18 (1)
Weight, g/mol:	361.127385
ΔH_f, kcal/mol:	-703.6
Dipole, Da:	2.4
IP(EA), eV:	-9.2(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

C[C@]1([C@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

DOS

IR

Vibrations