Geometry & MOs

Info

ID:	147282
PubChem CID:	53786937
Reduced:	SN3O5H23C27 (1)
Stoich.:	AB3C5D23E27 (1)
Weight, g/mol:	270.125594
ΔH_f, kcal/mol:	-35.79
Dipole, Da:	6.56
IP(EA), eV:	-9.04(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-formyl-4-naphthalen-1-ylbutanoate

Drug info:

PubChemData

Smile

COC(=O)CON=C(C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations