Geometry & MOs

Info

ID:	360377
PubChem CID:	127301022
Reduced:	SO3N5C18H25 (1)
Stoich.:	AB3C5D18E25 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-71.25
Dipole, Da:	5.88
IP(EA), eV:	-9.56(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6,6-trimethyl-2-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]-5,7-dihydro-1H-indol-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations