Geometry & MOs

Info

ID:	192031
PubChem CID:	78216292
Reduced:	FSN3O3C27H32 (1)
Stoich.:	ABC3D3E27F32 (1)
Weight, g/mol:	450.246476
ΔH_f, kcal/mol:	-128.77
Dipole, Da:	4.91
IP(EA), eV:	-8.67(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2CC(C(=O)NC2CC1C)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=C(C=C5)F

DOS

IR

Vibrations