Geometry & MOs

Info

ID:	228485
PubChem CID:	87564798
Reduced:	NOC9H17 (2)
Stoich.:	ABC9D17 (2)
Weight, g/mol:	351.105291
ΔH_f, kcal/mol:	-114.37
Dipole, Da:	3.27
IP(EA), eV:	-9.08(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-cyclopropyl-2-(3-fluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-3-yl]sulfanylformic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)ON(C1CCCCC1)C2CCCCC2)N

DOS

IR

Vibrations