Geometry & MOs

Info

ID:	355557
PubChem CID:	127289315
Reduced:	SO2N5C16H23 (1)
Stoich.:	AB2C5D16E23 (1)
Weight, g/mol:	351.146203
ΔH_f, kcal/mol:	-54.53
Dipole, Da:	4.51
IP(EA), eV:	-8.84(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=O)N1CC(=O)N2CCN(CC2)CC3=NC=CN3C)C

DOS

IR

Vibrations