Geometry & MOs

Info

ID:	62920
PubChem CID:	26737632
Reduced:	FSO2N4H17C25 (1)
Stoich.:	ABC2D4E17F25 (1)
Weight, g/mol:	496.102768
ΔH_f, kcal/mol:	15.63
Dipole, Da:	5.75
IP(EA), eV:	-9.08(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-3-yl-N'-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]quinoline-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(SC2=CC=CC(=C12)F)C(=O)NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

DOS

IR

Vibrations