Geometry & MOs

Info

ID:	347288
PubChem CID:	127272082
Reduced:	O2S2N3C19H23 (1)
Stoich.:	A2B2C3D19E23 (1)
Weight, g/mol:	357.118084
ΔH_f, kcal/mol:	-49.35
Dipole, Da:	3.87
IP(EA), eV:	-9.24(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(S2)C(=O)NCC(=O)N3CCC(CC3)C4=NC=CS4

DOS

IR

Vibrations