Geometry & MOs

Info

ID:	321996
PubChem CID:	126667749
Reduced:	SN2O4F8H18C19 (1)
Stoich.:	AB2C4D8E18F19 (1)
Weight, g/mol:	364.157851
ΔH_f, kcal/mol:	-527.03
Dipole, Da:	8.93
IP(EA), eV:	-9.76(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(3R)-2-[(4-chlorophenyl)methyl]-3-fluoroazetidin-1-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1NC(=O)N[C@H]2[C@H](CC3=CC=CC=C23)O)S(F)(F)(F)(F)F)C(C(F)(F)F)O

DOS

IR

Vibrations