Geometry & MOs

Info

ID:	145733
PubChem CID:	53583467
Reduced:	ClSO2N4H13C15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	302.154289
ΔH_f, kcal/mol:	11.59
Dipole, Da:	5.22
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-fluorophenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)NC2=CC(=C(C=C2)SC3=NN=CN3C)Cl

DOS

IR

Vibrations