Geometry & MOs

Info

ID:	222628
PubChem CID:	85305651
Reduced:	NSO8C15H29 (1)
Stoich.:	ABC8D15E29 (1)
Weight, g/mol:	383.209658
ΔH_f, kcal/mol:	-372.04
Dipole, Da:	7.91
IP(EA), eV:	-10.05(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[benzoyl(dec-2-ynoyl)amino]but-2-enyl acetate

Drug info:

PubChemData

Smile

C=CCOC1C(C(C(C(O1)CS(=O)(=O)[O-])O)O)O.C1CCC(CC1)[NH3+]

DOS

IR

Vibrations