Geometry & MOs

Info

ID:	165814
PubChem CID:	74600763
Reduced:	N2O2C17H23 (1)
Stoich.:	A2B2C17D23 (1)
Weight, g/mol:	430.049115
ΔH_f, kcal/mol:	-37.86
Dipole, Da:	1.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761288
Charge, e:	-1

Chem-info

IUPAC name:

N-(4,6-dimethoxypyrimidin-2-yl)-N'-(3-ethoxysulfinylpyridin-2-yl)sulfonylcarbamimidate

Drug info:

PubChemData

Smile

CCOC(=O)CN1C2=C(CC(CC2)[NH2+]C)C3=CC=CC=C31

DOS

IR

Vibrations