Geometry & MOs

Info

ID:	413580
PubChem CID:	135086529
Reduced:	NCl2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	327.110673
ΔH_f, kcal/mol:	-88.52
Dipole, Da:	3.39
IP(EA), eV:	-9.28(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-acetamido-2-acetyloxy-3-naphthalen-2-ylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)N/C(=C(/C1=CC=C(C=C1)Cl)\OCOC)/C2=CC=C(C=C2)Cl

DOS

IR

Vibrations