Geometry & MOs

Info

ID:

299616

PubChem CID:

117688159

Reduced:

SN5O10C33H41 (1)

Stoich.:

AB5C10D33E41 (1)

Weight, g/mol:

527.234411

ΔHf, kcal/mol:

-337.67

Dipole, Da:

10.72

IP(EA), eV:

 -8.6(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-(cyclopropylmethoxy)-2-fluoro-3-methylphenyl]-N-[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)C)S(=O)(=O)NC(CNC(=O)COC2CC(N(C2)OC(=O)OCC3=CC=CC=C3)CNC4=NC=CC(=C4)OC)C(=O)O)C

DOS

IR

Vibrations