Geometry & MOs

Info

ID:	413545
PubChem CID:	135086494
Reduced:	NSCl3O9H42C46 (1)
Stoich.:	ABC3D9E42F46 (1)
Weight, g/mol:	302.95787
ΔH_f, kcal/mol:	-245.98
Dipole, Da:	4.2
IP(EA), eV:	-8.54(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-5-iodo-6-thiophen-2-ylhex-5-enenitrile

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(OC(C1O[C@H](CSC2=CC=CC=C2)C3=CC=CC=C3)OC(=N)C(Cl)(Cl)Cl)COC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)OCC7=CC=CC=C7

DOS

IR

Vibrations