Geometry & MOs

Info

ID:

299651

PubChem CID:

117688296

Reduced:

FO4N5C29H36 (1)

Stoich.:

AB4C5D29E36 (1)

Weight, g/mol:

515.214424

ΔHf, kcal/mol:

-175.45

Dipole, Da:

8.05

IP(EA), eV:

 -9.32(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(cyclopropylmethoxy)-5-(difluoromethyl)phenyl]-N-[(3S)-3-fluoro-1-propanoylpyrrolidin-3-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

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(=C4F)C)OCC5CC5)C

DOS

IR

Vibrations