Geometry & MOs

Info

ID:	301323
PubChem CID:	123071443
Reduced:	FOSN4H23C25 (1)
Stoich.:	ABCD4E23F25 (1)
Weight, g/mol:	434.02122
ΔH_f, kcal/mol:	65.31
Dipole, Da:	9.86
IP(EA), eV:	-8.86(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-bromo-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=C(C=C2)OCC3=CC=CC=C3)SCC4=CC=C(C=C4)F

DOS

IR

Vibrations