Geometry & MOs

Info

ID:	230464
PubChem CID:	87570970
Reduced:	OSN5C29H41 (1)
Stoich.:	ABC5D29E41 (1)
Weight, g/mol:	507.303182
ΔH_f, kcal/mol:	-13.34
Dipole, Da:	5.71
IP(EA), eV:	-8.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-N-[3-[4-(5-phenyl-3-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl)piperidin-1-yl]butyl]butanamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)CC(C)(C)C)N1CCC(CC1)N2[C@@H](CN(C2=S)C3=CC=CC=N3)C4=CC=CC=C4

DOS

IR

Vibrations