Geometry & MOs

Info

ID:	90067
PubChem CID:	49966153
Reduced:	SN2O3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	310.131742
ΔH_f, kcal/mol:	-73.26
Dipole, Da:	8.43
IP(EA), eV:	-9.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoic acid

Drug info:

PubChemData

Smile

C1CN(C(=O)N(C1)C2=CC=C(C=C2)C(=O)O)CC3=CC=CS3

DOS

IR

Vibrations