Geometry & MOs

Info

ID:	402200
PubChem CID:	135054885
Reduced:	OC10H12 (2)
Stoich.:	AB10C12 (2)
Weight, g/mol:	400.103729
ΔH_f, kcal/mol:	-40.44
Dipole, Da:	3.86
IP(EA), eV:	-9.06(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-chlorophenyl)-3-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCC[C@@H](CO)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations