Geometry & MOs

Info

ID:

190687

PubChem CID:

78042447

Reduced:

ClPN5O6C25H33 (1)

Stoich.:

ABC5D6E25F33 (1)

Weight, g/mol:

565.185698

ΔHf, kcal/mol:

-286.81

Dipole, Da:

3.76

IP(EA), eV:

 -8.7(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[[1-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]ethoxy-(2-chlorophenoxy)phosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC1CC(OC1N2C=CC3=C(N=CN=C32)N)C(C)OP(=O)(NC(C)C(=O)OC(C)C)OC4=CC=C(C=C4)Cl

DOS

IR

Vibrations