Geometry & MOs

Info

ID:	309852
PubChem CID:	126562298
Reduced:	ClSN9C24H26 (1)
Stoich.:	ABC9D24E26 (1)
Weight, g/mol:	422.191383
ΔH_f, kcal/mol:	142.82
Dipole, Da:	1.71
IP(EA), eV:	-8.27(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate

Drug info:

PubChemData

Smile

C1CC1C2=C(C3=C(N2)N=C(N=C3N4CCC(C4)N)SC5=CC6=C(C=C5)C(=NC=N6)N7CC(C7)N)Cl

DOS

IR

Vibrations