Geometry & MOs

Info

ID:	133024
PubChem CID:	51463882
Reduced:	SO2N6C26H38 (1)
Stoich.:	AB2C6D26E38 (1)
Weight, g/mol:	496.186595
ΔH_f, kcal/mol:	-65.01
Dipole, Da:	6.57
IP(EA), eV:	-8.92(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N'-[[(2S)-3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-[3-(1H-imidazol-3-ium-3-yl)propyl]oxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2C(=O)C3CCCCC3N4C2=NN=C4S[C@@H](C)C(=O)NC5CCCC(C5)C#N

DOS

IR

Vibrations