Geometry & MOs

Info

ID:

299628

PubChem CID:

117688204

Reduced:

O4N5C27H33 (1)

Stoich.:

A4B5C27D33 (1)

Weight, g/mol:

545.224989

ΔHf, kcal/mol:

-118.45

Dipole, Da:

9.47

IP(EA), eV:

 -9.04(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2CC2)C3=NC=NC4=C3NC(=C4C(=O)N[C@H]5CC[C@H](C5)NC(=O)[C@H](C)O)C

DOS

IR

Vibrations