Geometry & MOs

Info

ID:	166492
PubChem CID:	74699629
Reduced:	SO2N4C25H40 (1)
Stoich.:	AB2C4D25E40 (1)
Weight, g/mol:	460.287198
ΔH_f, kcal/mol:	-90.82
Dipole, Da:	6.48
IP(EA), eV:	-8.18(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(dimethylamino)propyl]-1-[(6-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-3-(3-methoxyphenyl)thiourea

Drug info:

PubChemData

Smile

CCN(CC)CCN(CC1CC2CC(CCC2NC1=O)OC)C(=S)NC3=CC=C(C=C3)C

DOS

IR

Vibrations