Geometry & MOs

Info

ID:	232784
PubChem CID:	87576994
Reduced:	ClO3N6C17H21 (1)
Stoich.:	AB3C6D17E21 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-74.99
Dipole, Da:	5.2
IP(EA), eV:	-8.87(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-1,5,6,7-tetrahydroindol-3-yl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=CN=C1CN2CC(C3=C2N=C(N=C3Cl)N)CC(=O)N)CO)OC

DOS

IR

Vibrations