Geometry & MOs

Info

ID:	177812
PubChem CID:	76234262
Reduced:	SO4N5C23H27 (1)
Stoich.:	AB4C5D23E27 (1)
Weight, g/mol:	417.157623
ΔH_f, kcal/mol:	-74.67
Dipole, Da:	4.51
IP(EA), eV:	-8.49(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCC3=NC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations