Geometry & MOs

Info

ID:	166071
PubChem CID:	74633940
Reduced:	SF2N2O2C19H25 (1)
Stoich.:	AB2C2D2E19F25 (1)
Weight, g/mol:	361.088555
ΔH_f, kcal/mol:	-124.78
Dipole, Da:	4.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.038229
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1,3-dimethyl-2,6-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,3-diazinane-5-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(C)[NH2+]CC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations