Geometry & MOs

Info

ID:	185375
PubChem CID:	77290812
Reduced:	ClN2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	549.19885
ΔH_f, kcal/mol:	-113.54
Dipole, Da:	2.78
IP(EA), eV:	-8.97(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C)OC1(C2=C(C=CC(=C2)Cl)NC1=O)C3=CC=CC=C3OC

DOS

IR

Vibrations