Geometry & MOs

Info

ID:	149965
PubChem CID:	53789648
Reduced:	O3S3N8H10C17 (1)
Stoich.:	A3B3C8D10E17 (1)
Weight, g/mol:	322.135365
ΔH_f, kcal/mol:	241.05
Dipole, Da:	4.15
IP(EA), eV:	-9.64(-2.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-(2,4-difluorophenyl)-3-(4,5-dihydrotriazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol

Drug info:

PubChemData

Smile

C1C(=C(N2[C@@H](S1)C(C2=O)NC(=S)C3(C#C3)C#N)C(=O)O)CSC4=NN5C(=NN=N5)C=C4

DOS

IR

Vibrations