Geometry & MOs

Info

ID:	35987
PubChem CID:	7980600
Reduced:	NO2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	407.101371
ΔH_f, kcal/mol:	-162.54
Dipole, Da:	3.95
IP(EA), eV:	-9.44(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dithiolan-2-yl)-N-[4-(4-methylphenoxy)phenyl]benzamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations