Geometry & MOs

Info

ID:	189004
PubChem CID:	77802302
Reduced:	O3C29H44 (1)
Stoich.:	A3B29C44 (1)
Weight, g/mol:	359.111519
ΔH_f, kcal/mol:	-166.88
Dipole, Da:	8.3
IP(EA), eV:	-9.07(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-5-yl)butan-2-yl]sulfanylpropane-1,1-diol

Drug info:

PubChemData

Smile

CCCCCCCC1CCC(CC1)C2CCC(CC2)COC3=CC=C(C=C3)C=CC(=O)O

DOS

IR

Vibrations