Geometry & MOs

Info

ID:	404087
PubChem CID:	135064946
Reduced:	FNO5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	-272.09
Dipole, Da:	6.01
IP(EA), eV:	-10.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,5S)-5-(4-methoxyanilino)-5-(4-methylphenyl)pent-2-enoate

Drug info:

PubChemData

Smile

CC1(OC(=CC(=O)O1)C[C@H](C2=CC(=CC=C2)F)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations