Geometry & MOs

Info

ID:	163545
PubChem CID:	58034120
Reduced:	ClN3O5H20C27 (1)
Stoich.:	AB3C5D20E27 (1)
Weight, g/mol:	486.134635
ΔH_f, kcal/mol:	-70.7
Dipole, Da:	7.13
IP(EA), eV:	-8.36(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-C-[4-(4-chloro-N-methylanilino)phenyl]-N-methoxycarbonimidoyl]-5-phenoxybenzoic acid

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)Cl)C2=CN=C(C=C2)C(=O)C3=CC(=CC(=C3)NC4=CC5=C(C=C4)OCO5)C(=O)O

DOS

IR

Vibrations