Geometry & MOs

Info

ID:	86469
PubChem CID:	49885955
Reduced:	ClFS2N3H15C17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	500.097683
ΔH_f, kcal/mol:	43.13
Dipole, Da:	5.69
IP(EA), eV:	-8.72(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(9,10-dioxoanthracen-2-yl)-2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)CSC3=CC=CC=C3

DOS

IR

Vibrations