Geometry & MOs

Info

ID:

305348

PubChem CID:

124771969

Reduced:

FN2O4H23C27 (1)

Stoich.:

AB2C4D23E27 (1)

Weight, g/mol:

452.224597

ΔHf, kcal/mol:

-140.44

Dipole, Da:

4.2

IP(EA), eV:

 -9.36(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H]2[C@H]3[C@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)[C@@](N2)(CC5=CC=CC=C5)C(=O)O

DOS

IR

Vibrations