Geometry & MOs

Info

ID:	170049
PubChem CID:	75187847
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	-53.2
Dipole, Da:	5.96
IP(EA), eV:	-9.14(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1CC(=O)NC(N1)SCC(=O)NC2=C(C=NO2)C3=CC=CC=C3

DOS

IR

Vibrations