Geometry & MOs

Info

ID:	350920
PubChem CID:	127279208
Reduced:	SN3O4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	377.141866
ΔH_f, kcal/mol:	-78.73
Dipole, Da:	8.62
IP(EA), eV:	-9.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-fluorophenyl)-[4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=NS(=O)(=O)C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations