Geometry & MOs

Info

ID:	261164
PubChem CID:	103220856
Reduced:	BrClINOH12C15 (1)
Stoich.:	ABCDEF12G15 (1)
Weight, g/mol:	468.83997
ΔH_f, kcal/mol:	21.39
Dipole, Da:	3.94
IP(EA), eV:	-9.74(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-3-yl)methyl]-3-chloro-4-iodo-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)Br)C(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations