Geometry & MOs

Info

ID:	171686
PubChem CID:	75413495
Reduced:	NSO5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	-173.33
Dipole, Da:	4.01
IP(EA), eV:	-9.69(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

quinolin-8-ylmethyl N'-(1-methoxypropan-2-yl)carbamimidothioate

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3)O

DOS

IR

Vibrations