Geometry & MOs

Info

ID:	44660
PubChem CID:	10505169
Reduced:	ClN2O5C26H33 (1)
Stoich.:	AB2C5D26E33 (1)
Weight, g/mol:	488.101811
ΔH_f, kcal/mol:	-201.94
Dipole, Da:	8.85
IP(EA), eV:	-8.29(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=C(C=C1)OC2CCN(CC2)C(=O)C)OC3=CC4=C(CC[NH2+]C4)C=C3.[Cl-]

DOS

IR

Vibrations