Geometry & MOs

Info

ID:	446542
PubChem CID:	135275804
Reduced:	O3N4C32H36 (1)
Stoich.:	A3B4C32D36 (1)
Weight, g/mol:	272.88759
ΔH_f, kcal/mol:	-51.41
Dipole, Da:	6.8
IP(EA), eV:	-8.97(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-iodo-N-methylthiophen-2-amine

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@H](C3=CC4=C(CCN(C4)C(=O)C5=CC(=C(C=C5)C)C)C=C3)[C@H](C)C(=O)OC)C)N=N1

DOS

IR

Vibrations