Geometry & MOs

Info

ID:	438440
PubChem CID:	135228181
Reduced:	FN3O3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	386.099312
ΔH_f, kcal/mol:	-84.63
Dipole, Da:	0.53
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (Z)-2-amino-3-(N-amino-5-chloro-2-nitroanilino)pent-2-enedioate

Drug info:

PubChemData

Smile

C1=CC(=O)N(C(=C1)C(=O)NNC2=CC=C(C=C2)F)CC=O

DOS

IR

Vibrations