Geometry & MOs

Info

ID:	194266
PubChem CID:	78505920
Reduced:	SN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-28.9
Dipole, Da:	1.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.845366
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)ethyl 3-oxo-5,6-diphenyldiazinane-4-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)[O-])N1C=NC2=C(C1=O)C(=CS2)C3=CC4=C(CCCC4)C=C3

DOS

IR

Vibrations