Geometry & MOs

Info

ID:

299627

PubChem CID:

117688203

Reduced:

FO3N5C26H30 (1)

Stoich.:

AB3C5D26E30 (1)

Weight, g/mol:

491.253255

ΔHf, kcal/mol:

-105.24

Dipole, Da:

10.09

IP(EA), eV:

 -9.11(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(cyclopropylmethoxy)-5-methylphenyl]-N-[(1S,3R)-3-[[(2S)-2-hydroxypropanoyl]amino]cyclopentyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1C[C@H]([C@@H](C1)NC(=O)C2=C(NC3=C2N=CN=C3C4=C(C=CC(=C4)F)OCC5CC5)C)C

DOS

IR

Vibrations