Geometry & MOs

Info

ID:	194638
PubChem CID:	78567119
Reduced:	SO3N5C19H23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	418.225643
ΔH_f, kcal/mol:	-71.48
Dipole, Da:	7.69
IP(EA), eV:	-8.7(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C(NC(=O)N3)C)C(=O)OCC

DOS

IR

Vibrations