Geometry & MOs

Info

ID:	35310
PubChem CID:	7979667
Reduced:	ClN3O6H14C16 (1)
Stoich.:	AB3C6D14E16 (1)
Weight, g/mol:	331.070071
ΔH_f, kcal/mol:	-57.3
Dipole, Da:	4.82
IP(EA), eV:	-9.79(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dithiolan-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

DOS

IR

Vibrations