Geometry & MOs

Info

ID:	156679
PubChem CID:	56371666
Reduced:	FOSN3C20H22 (1)
Stoich.:	ABCD3E20F22 (1)
Weight, g/mol:	434.141262
ΔH_f, kcal/mol:	-6.48
Dipole, Da:	5.96
IP(EA), eV:	-8.66(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC2=CC=C(C=C2)OCC3=CC=C(C=C3)F

DOS

IR

Vibrations