Geometry & MOs

Info

ID:	357239
PubChem CID:	127293755
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-37.19
Dipole, Da:	3.68
IP(EA), eV:	-8.4(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)CCC(=O)N3CCSC4=CC=CC=C43

DOS

IR

Vibrations