Geometry & MOs

Info

ID:	192732
PubChem CID:	78306406
Reduced:	SO2N3C27H33 (1)
Stoich.:	AB2C3D27E33 (1)
Weight, g/mol:	441.281384
ΔH_f, kcal/mol:	33.36
Dipole, Da:	4.81
IP(EA), eV:	-8.19(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=S)N(CC2C=C3C=C(C=C(C3=NC2=O)C)C)C4CCCCC4

DOS

IR

Vibrations