Geometry & MOs

Info

ID:	187804
PubChem CID:	77627239
Reduced:	O2N4C27H32 (1)
Stoich.:	A2B4C27D32 (1)
Weight, g/mol:	546.085493
ΔH_f, kcal/mol:	-8.83
Dipole, Da:	8.44
IP(EA), eV:	-9.11(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-[2-[[3-cyclohexyl-2-[(4,5-dichlorothiophen-2-yl)-sulfinatoamino]propanoyl]amino]ethyl]-5-fluoro-2,3-dihydroindole

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C2=C(C3=C(C(=C2C)C#N)N=C(O3)C(C)(C)C)N4CCC(C4=O)N(C)C

DOS

IR

Vibrations