Geometry & MOs

Info

ID:	360421
PubChem CID:	127301066
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	366.151433
ΔH_f, kcal/mol:	-70.07
Dipole, Da:	7.38
IP(EA), eV:	-8.81(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-4-phenyl-1,3-thiazol-5-yl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3=CC=C(C=C3)N4CCCS4(=O)=O

DOS

IR

Vibrations