Geometry & MOs

Info

ID:	194189
PubChem CID:	78496725
Reduced:	ON4C9H16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	418.14749
ΔH_f, kcal/mol:	-1.85
Dipole, Da:	5.03
IP(EA), eV:	-9.32(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-[(4-ethoxyphenyl)methyl]-5-oxo-1,2,4-triazinan-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCNC1=NC(=O)C(N=N1)C(C)(C)C

DOS

IR

Vibrations