Geometry & MOs

Info

ID:	44213
PubChem CID:	10502033
Reduced:	N2O4H24C25 (1)
Stoich.:	A2B4C24D25 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	-74.35
Dipole, Da:	3.07
IP(EA), eV:	-9.21(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R)-2-methyl-5-[4-(4-methylanilino)-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

C=CCN1C(=CC(C(C1=O)C(=O)OCC=C)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations