Geometry & MOs

Info

ID:	214746
PubChem CID:	85083572
Reduced:	FSO5N6C29H35 (1)
Stoich.:	ABC5D6E29F35 (1)
Weight, g/mol:	599.11548
ΔH_f, kcal/mol:	-201.99
Dipole, Da:	4.87
IP(EA), eV:	-9.04(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-benzylidene-2-ethoxycarbonyloxypent-1-enyl)-5-bromo-2-ethoxycarbonyloxyindole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)N4CC(OC4=O)CNC(=S)C)F)N

DOS

IR

Vibrations