Geometry & MOs

Info

ID:	140382
PubChem CID:	52688823
Reduced:	ClNO5H18C21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	454.03895
ΔH_f, kcal/mol:	-132.7
Dipole, Da:	8.56
IP(EA), eV:	-8.8(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-iodoanilino)-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C/C(=O)NC2=CC3=C(C=C2)OC(=O)C=C3)Cl)OC

DOS

IR

Vibrations