Geometry & MOs

Info

ID:	163973
PubChem CID:	74381131
Reduced:	BrO3N5C29H32 (1)
Stoich.:	AB3C5D29E32 (1)
Weight, g/mol:	481.201299
ΔH_f, kcal/mol:	-22.49
Dipole, Da:	5.22
IP(EA), eV:	-8.87(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-(4-fluoro-2-nitroanilino)phenyl]-2-[(3-oxospiro[3.5]non-1-en-1-yl)amino]propanoate

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(=C(C2=O)Br)NC(CC3=CC=C(C=C3)N4C(=NC5=C4N=CC=C5)C6CCNCC6)C(=O)O

DOS

IR

Vibrations