Geometry & MOs

Info

ID:	298412
PubChem CID:	117649342
Reduced:	N3O8C28H51 (1)
Stoich.:	A3B8C28D51 (1)
Weight, g/mol:	486.273673
ΔH_f, kcal/mol:	-387.48
Dipole, Da:	7.36
IP(EA), eV:	-9.77(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[bis(2-azidoethyl)amino]-3-oxo-2-(tridecanoylamino)propane-1-sulfinic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(=O)N[C@H](CCC(=O)NCC(C(C(C(CO)O)O)O)O)C(=O)N(C)CC#C

DOS

IR

Vibrations