Geometry & MOs

Info

ID:

185250

PubChem CID:

77275246

Reduced:

SF2O6C26H26 (1)

Stoich.:

AB2C6D26E26 (1)

Weight, g/mol:

538.301602

ΔHf, kcal/mol:

-290.28

Dipole, Da:

6.9

IP(EA), eV:

 -9.7(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methylmethanamine;2-[[5-(2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl)pyridin-2-yl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)CC(C(=O)O)OC1=C(C=C(C=C1)F)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC)F

DOS

IR

Vibrations