Geometry & MOs

Info

ID:	352890
PubChem CID:	127283980
Reduced:	SO2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	384.183127
ΔH_f, kcal/mol:	-2.5
Dipole, Da:	1.39
IP(EA), eV:	-8.94(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CC3=CN4C=CSC4=N3)C

DOS

IR

Vibrations