Geometry & MOs

Info

ID:	349841
PubChem CID:	127276233
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	359.177982
ΔH_f, kcal/mol:	-96.04
Dipole, Da:	6.95
IP(EA), eV:	-8.52(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1CN2CCCCC2)SC3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations