Geometry & MOs

Info

ID:

243195

PubChem CID:

99216831

Reduced:

FSO3N4C24H25 (1)

Stoich.:

ABC3D4E24F25 (1)

Weight, g/mol:

489.23108

ΔHf, kcal/mol:

-34.39

Dipole, Da:

6.61

IP(EA), eV:

 -9.24(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=C(C=N1)[C@H](CCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4F

DOS

IR

Vibrations