Geometry & MOs

Info

ID:	122441
PubChem CID:	50807128
Reduced:	SN2O4H18C21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	370.152872
ΔH_f, kcal/mol:	-77.79
Dipole, Da:	8.94
IP(EA), eV:	-8.87(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzamido-2-[1,4-dioxan-2-ylmethyl(methyl)amino]benzoic acid

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2CN1C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)O

DOS

IR

Vibrations