Geometry & MOs

Info

ID:	191706
PubChem CID:	78179648
Reduced:	SO3N5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	276.058945
ΔH_f, kcal/mol:	-23.6
Dipole, Da:	6.36
IP(EA), eV:	-9.26(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-(4-chloro-3,5-difluoroanilino)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=NC(=O)C3C(=N2)N(C=N3)CC(CSCCO)O

DOS

IR

Vibrations