Geometry & MOs

Info

ID:

49764

PubChem CID:

11533745

Reduced:

FN4O6C26H39 (1)

Stoich.:

AB4C6D26E39 (1)

Weight, g/mol:

487.192963

ΔHf, kcal/mol:

-292.33

Dipole, Da:

3.93

IP(EA), eV:

 -9.24(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[furan-2-ylmethyl-[6-[(4-methylphenyl)methyl]pyrimidin-4-yl]amino]methyl]phenyl]sulfanyl-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCCNC(=O)NCCCC1=CC=C(C=C1)CC2=C(NN=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)F)O)O)C(C)C

DOS

IR

Vibrations