Geometry & MOs

Info

ID:	232071
PubChem CID:	87575373
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	670.178347
ΔH_f, kcal/mol:	-40.47
Dipole, Da:	1.95
IP(EA), eV:	-8.64(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(E)-[5-[(2,6-dichlorophenyl)methylsulfonyl]-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]-N-[2-(diethylamino)ethyl]propanamide

Drug info:

PubChemData

Smile

COCC(=O)OC1=CC=C2C1=CC=C3C2CCC4C3CC5CNNC5C4

DOS

IR

Vibrations