Geometry & MOs

Info

ID:	222092
PubChem CID:	85293925
Reduced:	NO6C33H47 (1)
Stoich.:	AB6C33D47 (1)
Weight, g/mol:	556.199822
ΔH_f, kcal/mol:	-216.34
Dipole, Da:	2.46
IP(EA), eV:	-8.82(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[1-(aziridin-1-yl)-3-methoxy-3-oxo-1-phenylprop-1-en-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl] naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CCC1(OCC(O1)CC(C(C)C(C(=CC=CC(=CC2=COC(=N2)C)C)C)OC)OCC3=CC=C(C=C3)OC)CC

DOS

IR

Vibrations