Geometry & MOs

Info

ID:	170047
PubChem CID:	75187845
Reduced:	SO3N4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	360.125612
ΔH_f, kcal/mol:	1.16
Dipole, Da:	2.86
IP(EA), eV:	-8.98(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(4-phenyl-1,2-oxazol-5-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC2=NC(=NC(=O)C2C1)SCC(=O)NC3=C(C=NO3)C4=CC=CC=C4

DOS

IR

Vibrations