Geometry & MOs

Info

ID:	166507
PubChem CID:	74701877
Reduced:	SO3N4C24H32 (1)
Stoich.:	AB3C4D24E32 (1)
Weight, g/mol:	486.21009
ΔH_f, kcal/mol:	-29.37
Dipole, Da:	11.64
IP(EA), eV:	-8.43(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(diethylamino)ethyl]-1-[(6,7-dimethoxy-2-oxo-4aH-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea

Drug info:

PubChemData

Smile

CCN(CC)CCCNC(=S)N(CC1C=C2C=C(C=CC2=NC1=O)OC)CC3=CC=CO3

DOS

IR

Vibrations