Geometry & MOs

Info

ID:	218615
PubChem CID:	85089692
Reduced:	N4O4C27H40 (1)
Stoich.:	A4B4C27D40 (1)
Weight, g/mol:	484.254835
ΔH_f, kcal/mol:	-192.37
Dipole, Da:	3.14
IP(EA), eV:	-9.24(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,3-diphenyl-N-(4,7,7-trimethyl-3-piperidin-1-ylbicyclo[2.2.1]hept-2-ene-2-carbothioyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CC(=O)N1CCCC1C(=O)C2CCCC2)CC(=O)N3CCCC3C(=O)N4CCCC4C#N

DOS

IR

Vibrations