Geometry & MOs

Info

ID:	364559
PubChem CID:	127315811
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	373.19026
ΔH_f, kcal/mol:	-51.07
Dipole, Da:	5.75
IP(EA), eV:	-8.57(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroindol-1-yl-[6-[4-(1H-imidazol-2-yl)piperidin-1-yl]pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=C(N=C3S2)CN4CCOCC4)N5CCC[C@@H]5CO

DOS

IR

Vibrations