Geometry & MOs

Info

ID:	271499
PubChem CID:	103681130
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	418.96076
ΔH_f, kcal/mol:	-90.28
Dipole, Da:	3.46
IP(EA), eV:	-9.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-iodo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC#N)C(=O)C2=C(C=C(C=C2)O)O

DOS

IR

Vibrations