Geometry & MOs

Info

ID:	387121
PubChem CID:	134984091
Reduced:	NO2C19H27 (1)
Stoich.:	AB2C19D27 (1)
Weight, g/mol:	535.155926
ΔH_f, kcal/mol:	-42.67
Dipole, Da:	3.64
IP(EA), eV:	-8.39(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2S,3R)-3-ethenyl-1-(4-nitrophenyl)sulfonylaziridin-2-yl]propyl]-1-(2,4,6-trimethylphenyl)sulfonylguanidine

Drug info:

PubChemData

Smile

CC(=C(C)CC[C@@]1([C@@H]2N1C3=C(C2)C=C(C=C3)OC)COC)C

DOS

IR

Vibrations