Geometry & MOs

Info

ID:	156980
PubChem CID:	56404334
Reduced:	F2N3O3C20H25 (1)
Stoich.:	A2B3C3D20E25 (1)
Weight, g/mol:	335.155515
ΔH_f, kcal/mol:	-191.84
Dipole, Da:	7.61
IP(EA), eV:	-9.24(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(CC1)C2OCCO2)N3C=NC4=CC(=C(C=C43)F)F

DOS

IR

Vibrations