Geometry & MOs

Info

ID:	230463
PubChem CID:	87570968
Reduced:	SH8C9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	507.303182
ΔH_f, kcal/mol:	86.15
Dipole, Da:	2.3
IP(EA), eV:	-8.4(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)C=C)S)S

DOS

IR

Vibrations