Geometry & MOs

Info

ID:

377179

PubChem CID:

134223217

Reduced:

NO2S2C43H83 (1)

Stoich.:

AB2C2D43E83 (1)

Weight, g/mol:

503.222721

ΔHf, kcal/mol:

-190.54

Dipole, Da:

2.54

IP(EA), eV:

 -8.46(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-[(7R,8aS)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]-5-fluoro-2-N-[3-(5-methylsulfonyl-2,3-dihydrotetrazol-1-yl)phenyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCCOC(COCCCCCCCC/C=C\C/C=C\CCCCC)CSSCCN(C)C

DOS

IR

Vibrations