Geometry & MOs

Info

ID:	312523
PubChem CID:	126606234
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	348.098742
ΔH_f, kcal/mol:	-96.08
Dipole, Da:	2.68
IP(EA), eV:	-9.32(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[5-phosphanyl-4-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1=C(C(=CC(C=C1)(C)C(=O)O)C)NC=O

DOS

IR

Vibrations