Geometry & MOs

Info

ID:	326131
PubChem CID:	126686646
Reduced:	ClFN2O3C10H12 (1)
Stoich.:	ABC2D3E10F12 (1)
Weight, g/mol:	706.08369
ΔH_f, kcal/mol:	-154.49
Dipole, Da:	5.12
IP(EA), eV:	-10.6(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-benzamido-5-[(3,4-dibenzamidothiophen-2-yl)disulfanyl]thiophen-3-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(COC1=C(C(=NC=N1)Cl)C(=O)OC)F

DOS

IR

Vibrations