Geometry & MOs

Info

ID:	282895
PubChem CID:	103944554
Reduced:	NSO3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	434.92898
ΔH_f, kcal/mol:	-74.0
Dipole, Da:	3.71
IP(EA), eV:	-8.96(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

COC1=CSC(=C1)C(=O)N[C@@H](CO)C2=CC=CC=C2

DOS

IR

Vibrations