Geometry & MOs

Info

ID:	360397
PubChem CID:	127301042
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	364.193297
ΔH_f, kcal/mol:	-34.96
Dipole, Da:	3.37
IP(EA), eV:	-8.73(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)CCN3C=NC4=C(C3=O)C(=C(S4)C)C

DOS

IR

Vibrations