Geometry & MOs

Info

ID:	154994
PubChem CID:	56314554
Reduced:	SN2O3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	421.157246
ΔH_f, kcal/mol:	-75.94
Dipole, Da:	9.35
IP(EA), eV:	-8.56(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=CC=C2C)C)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations