Geometry & MOs

Info

ID:	404431
PubChem CID:	135066286
Reduced:	N2Cl3O5H21C24 (1)
Stoich.:	A2B3C5D21E24 (1)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	-168.6
Dipole, Da:	1.77
IP(EA), eV:	-9.03(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,4S,5S)-5-(4-methoxyanilino)-4-methyl-5-phenylpent-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@]1(C2=C(C(=CC=C2)Cl)N(C1=O)CC3=CC=CC=C3)[C@@H]4C(=C(C(=O)O4)Cl)Cl

DOS

IR

Vibrations