Geometry & MOs

Info

ID:	193725
PubChem CID:	78430380
Reduced:	NSO5H25C29 (1)
Stoich.:	ABC5D25E29 (1)
Weight, g/mol:	438.02023
ΔH_f, kcal/mol:	-95.16
Dipole, Da:	3.82
IP(EA), eV:	-8.58(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(4-iodoanilino)-2-[(4-methoxyphenyl)methyl]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=C(C(C2C(=N1)CC(CC2=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations