Geometry & MOs

Info

ID:	143249
PubChem CID:	53172856
Reduced:	SO2N4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	435.172896
ΔH_f, kcal/mol:	-2.11
Dipole, Da:	5.08
IP(EA), eV:	-8.41(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-[5-(4,5-dimethyl-1,3-thiazol-2-yl)pyridin-2-yl]piperazine-1-carbonyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations