Geometry & MOs

Info

ID:	187121
PubChem CID:	77532412
Reduced:	SF2O3N6C24H26 (1)
Stoich.:	AB2C3D6E24F26 (1)
Weight, g/mol:	417.116794
ΔH_f, kcal/mol:	-94.4
Dipole, Da:	5.19
IP(EA), eV:	-8.5(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-chloro-3-methylindazol-1-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol

Drug info:

PubChemData

Smile

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C4=C(C=C(C=C4)NC5CCS(=O)(=O)CC5)C=N3

DOS

IR

Vibrations