Geometry & MOs

Info

ID:	309835
PubChem CID:	126561670
Reduced:	FN5O5C25H32 (1)
Stoich.:	AB5C5D25E32 (1)
Weight, g/mol:	625.396822
ΔH_f, kcal/mol:	-157.93
Dipole, Da:	5.28
IP(EA), eV:	-9.07(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)propan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid

Drug info:

PubChemData

Smile

CC(=O)NCC(COC1CCCCO1)CON=C2CN(C2)C3=NC=C(C=N3)C4=CC=CC(=C4F)CO

DOS

IR

Vibrations