Geometry & MOs

Info

ID:	170044
PubChem CID:	75187842
Reduced:	SO3N4H14C17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	400.081696
ΔH_f, kcal/mol:	31.01
Dipole, Da:	2.85
IP(EA), eV:	-9.02(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1=C)SCC(=O)NC2=C(C=NO2)C3=CC=CC=C3

DOS

IR

Vibrations