Geometry & MOs

Info

ID:	52658
PubChem CID:	12015640
Reduced:	IOC16H21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	640.0295
ΔH_f, kcal/mol:	-42.36
Dipole, Da:	1.67
IP(EA), eV:	-8.6(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(5-ethoxycarbonyl-4-ethyl-2-iodo-1H-pyrrol-3-yl)butyl]-3-ethyl-5-iodo-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)O[C@H]3CCC[C@@H]2[C@@H]3I

DOS

IR

Vibrations