Geometry & MOs

Info

ID:	128088
PubChem CID:	51030563
Reduced:	SO2F3N6H19C22 (1)
Stoich.:	AB2C3D6E19F22 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	-138.07
Dipole, Da:	9.86
IP(EA), eV:	-9.22(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4aR,5R)-4a-methyl-1-pyridin-3-yl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-(6-methoxypyridin-3-yl)ethanol

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=S)N1CC2=CN=C(C=C2)N3CCNC3=O)C4=CC(=C(C=C4)C#N)C(F)(F)F)C

DOS

IR

Vibrations