Geometry & MOs

Info

ID:	348998
PubChem CID:	127274724
Reduced:	FSN3O3C19H26 (1)
Stoich.:	ABC3D3E19F26 (1)
Weight, g/mol:	396.219512
ΔH_f, kcal/mol:	-165.43
Dipole, Da:	4.59
IP(EA), eV:	-8.6(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-butanoyl-1,3-thiazolidine-4-carbonyl)-N-cyclohexylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCOC(C1)CSCC(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations