Geometry & MOs

Info

ID:	261200
PubChem CID:	103222213
Reduced:	ClINOC14H17 (1)
Stoich.:	ABCDE14F17 (1)
Weight, g/mol:	382.96076
ΔH_f, kcal/mol:	-27.36
Dipole, Da:	5.05
IP(EA), eV:	-9.54(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(1-ethylsulfanylpropan-2-yl)-4-iodobenzamide

Drug info:

PubChemData

Smile

CC(C)C1CCN(C1)C(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations