Geometry & MOs

Info

ID:	192733
PubChem CID:	78306407
Reduced:	OSN3C26H39 (1)
Stoich.:	ABC3D26E39 (1)
Weight, g/mol:	455.297034
ΔH_f, kcal/mol:	-68.42
Dipole, Da:	5.74
IP(EA), eV:	-8.32(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-1-[(6,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-3-(2-phenylethyl)thiourea

Drug info:

PubChemData

Smile

CC1CC(C2C(C1)CC(C(=O)N2)CN(C3CCCCC3)C(=S)NCC4=CC=CC=C4)C

DOS

IR

Vibrations