Geometry & MOs

Info

ID:	139748
PubChem CID:	52588963
Reduced:	SO2N3H15C21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	444.99417
ΔH_f, kcal/mol:	42.18
Dipole, Da:	4.61
IP(EA), eV:	-8.9(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)CNC(=O)C4=CC5=C(C=C4)C=CN5

DOS

IR

Vibrations