Geometry & MOs

Info

ID:

233384

PubChem CID:

89854806

Reduced:

NO2C7H10 (2)

Stoich.:

AB2C7D10 (2)

Weight, g/mol:

574.257606

ΔHf, kcal/mol:

-161.85

Dipole, Da:

4.38

IP(EA), eV:

 -9.72(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[4-[[(7R,8aR)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]amino]-5-fluoropyrimidin-2-yl]amino]-5-fluoro-2-(4-methyl-5-oxotetrazol-1-yl)phenoxy]ethylcarbamic acid

Drug info:

PubChemData

Smile

CC(COC(=O)[C@H](CC1=CC=CC=C1)N)OC(=O)CN

DOS

IR

Vibrations