Geometry & MOs

Info

ID:	301321
PubChem CID:	123071441
Reduced:	FOSN4C21H23 (1)
Stoich.:	ABCD4E21F23 (1)
Weight, g/mol:	390.071738
ΔH_f, kcal/mol:	24.64
Dipole, Da:	6.47
IP(EA), eV:	-9.0(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-chloro-4-[[[3-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC(=CC=C2)OC(C)C)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations