Geometry & MOs

Info

ID:	222815
PubChem CID:	85332608
Reduced:	SN5O5C27H35 (1)
Stoich.:	AB5C5D27E35 (1)
Weight, g/mol:	542.260314
ΔH_f, kcal/mol:	-126.07
Dipole, Da:	9.46
IP(EA), eV:	-8.71(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroindol-1-yl]-3-[2-(2-phenylethylsulfanyl)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(NCC1)C(=O)OC(=O)C(CC2=CCC(=NN)C=C2C)NS(=O)(=O)C3=CC4=C(CCN(C4)C)C=C3

DOS

IR

Vibrations