Geometry & MOs

Info

ID:	393516
PubChem CID:	135020882
Reduced:	N5O5C28H35 (1)
Stoich.:	A5B5C28D35 (1)
Weight, g/mol:	483.184446
ΔH_f, kcal/mol:	-134.96
Dipole, Da:	6.05
IP(EA), eV:	-9.16(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-3-cyclopropylprop-2-enyl]-(2,4,6-trimethylphenyl)sulfonylamino]but-2-ynyl diethyl phosphate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OC)NC(=O)C[C@H](CCCCN=[N+]=[N-])NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations