Geometry & MOs

Info

ID:

164230

PubChem CID:

74382455

Reduced:

OSN3C11H11 (2)

Stoich.:

ABC3D11E11 (2)

Weight, g/mol:

554.257434

ΔHf, kcal/mol:

29.35

Dipole, Da:

7.13

IP(EA), eV:

 -8.72(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid;2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(N=C(S2)N)C(=O)N3CCC3CNC(=O)C4=C(N=C5N4C=CS5)C

DOS

IR

Vibrations