Geometry & MOs

Info

ID:	124466
PubChem CID:	50884693
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	506.080013
ΔH_f, kcal/mol:	-49.41
Dipole, Da:	12.38
IP(EA), eV:	-9.49(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl)methyl 4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]-2-chlorobenzoate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N/N=C\2/C(=C(C(=O)N(C2=O)CCO)C#N)C

DOS

IR

Vibrations