Geometry & MOs

Info

ID:	362477
PubChem CID:	127307953
Reduced:	SO3N5C18H25 (1)
Stoich.:	AB3C5D18E25 (1)
Weight, g/mol:	316.135782
ΔH_f, kcal/mol:	-71.54
Dipole, Da:	4.49
IP(EA), eV:	-9.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propan-2-yl-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN3C(=NN=C3C(C)C)C2

DOS

IR

Vibrations