Geometry & MOs

Info

ID:	46994
PubChem CID:	10528819
Reduced:	ClO3H27C31 (1)
Stoich.:	AB3C27D31 (1)
Weight, g/mol:	482.052455
ΔH_f, kcal/mol:	-44.35
Dipole, Da:	5.26
IP(EA), eV:	-9.44(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-[(E)-3-[4-[(1S)-1-(carbamoylamino)ethyl]anilino]-3-oxoprop-1-enyl]-4,6-dichloro-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)OC(C3=CC=CC=C3)C(C4=CC=CC=C4)Cl

DOS

IR

Vibrations