Geometry & MOs

Info

ID:	161110
PubChem CID:	57390801
Reduced:	ClN3H10C11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	397.138619
ΔH_f, kcal/mol:	88.56
Dipole, Da:	6.29
IP(EA), eV:	-8.94(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-7-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C2=NC=NC(=C2)NCC3=CC=CC=C3)C4=NC5=CC(=C(C=C5N4)Cl)Cl

DOS

IR

Vibrations