Geometry & MOs

Info

ID:	78817
PubChem CID:	49734345
Reduced:	F2N2S2O4H18C19 (1)
Stoich.:	A2B2C2D4E18F19 (1)
Weight, g/mol:	430.121195
ΔH_f, kcal/mol:	-184.14
Dipole, Da:	5.21
IP(EA), eV:	-9.31(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-quinolin-6-ylacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)OC3=NC4=C(C=C(C=C4S3)F)F

DOS

IR

Vibrations