Geometry & MOs

Info

ID:

305217

PubChem CID:

124767603

Reduced:

BrO2N3H18C22 (1)

Stoich.:

AB2C3D18E22 (1)

Weight, g/mol:

978

ΔHf, kcal/mol:

39.66

Dipole, Da:

2.21

IP(EA), eV:

 -8.66(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-(1-ethyl-3-methylpyrazol-4-yl)-3-[(2S,3S,4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-hydroxy-2,6-bis(4-iodophenyl)-3,4-dihydropyran-3-yl]-1-(4-iodophenyl)propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN3[C@H](C2)C4=C(C=CC(=C4)Br)O[C@H]3C5=CN=CC=C5

DOS

IR

Vibrations