Geometry & MOs

Info

ID:	170048
PubChem CID:	75187846
Reduced:	SO3N4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	-49.13
Dipole, Da:	4.9
IP(EA), eV:	-9.12(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)SCC(=O)NC2=C(C=NO2)C3=CC=CC=C3

DOS

IR

Vibrations