Geometry & MOs

Info

ID:	29052
PubChem CID:	831346
Reduced:	ClNOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	326.090272
ΔH_f, kcal/mol:	-51.85
Dipole, Da:	4.46
IP(EA), eV:	-8.78(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-cyano-3-[4-(furan-2-carbonylamino)phenyl]-3-oxopropanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)C2C(C2(C)C)(C)C

DOS

IR

Vibrations