Geometry & MOs

Info

ID:	349453
PubChem CID:	127275240
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	392.107375
ΔH_f, kcal/mol:	-52.13
Dipole, Da:	5.13
IP(EA), eV:	-8.59(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=CC2=O)CN3CCCC3C4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations