Geometry & MOs

Info

ID:	148206
PubChem CID:	53787868
Reduced:	ClON4H21C22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	575.251917
ΔH_f, kcal/mol:	76.97
Dipole, Da:	2.31
IP(EA), eV:	-9.32(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[4-[4-(4-ethoxyphenyl)-2-nitrophenoxy]carbonylphenoxy]-2-methylideneundecanoic acid

Drug info:

PubChemData

Smile

CC1(CCC2=C(C1=O)C(=NN2C3=NN=C(C=C3)Cl)[C@@H]4C[C@H]4C5=CC=CC=C5)C

DOS

IR

Vibrations