Geometry & MOs

Info

ID:

299642

PubChem CID:

117688251

Reduced:

F2O4N5C29H35 (1)

Stoich.:

A2B4C5D29E35 (1)

Weight, g/mol:

511.223097

ΔHf, kcal/mol:

-226.53

Dipole, Da:

7.19

IP(EA), eV:

 -9.31(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl] N-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CC[C@H]1NC(=O)[C@H](C)O)NC(=O)C2=C(NC3=C2N=CN=C3C4=C(C=CC(=C4)C(F)F)OCC5CC5)C

DOS

IR

Vibrations