Geometry & MOs

Info

ID:	85950
PubChem CID:	49880514
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	484.156912
ΔH_f, kcal/mol:	-29.27
Dipole, Da:	4.41
IP(EA), eV:	-8.99(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations