Geometry & MOs

Info

ID:	328561
PubChem CID:	126724760
Reduced:	SN4O5C29H40 (1)
Stoich.:	AB4C5D29E40 (1)
Weight, g/mol:	418.085098
ΔH_f, kcal/mol:	-193.14
Dipole, Da:	10.7
IP(EA), eV:	-8.82(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-[(Z)-but-1-enyl]-4-(methylamino)phenyl]-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one

Drug info:

PubChemData

Smile

CCC1C2C(C(C1O)C)C(=O)N(C2=O)CC3CCCCC3CN4CCN(CC4)C5=NS(=O)(=O)C6=CC=CC=C65

DOS

IR

Vibrations