Geometry & MOs

Info

ID:	371310
PubChem CID:	127345661
Reduced:	Cl2N2O3C18H22 (1)
Stoich.:	A2B2C3D18E22 (1)
Weight, g/mol:	358.146347
ΔH_f, kcal/mol:	-140.58
Dipole, Da:	8.26
IP(EA), eV:	-8.87(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-2-pyrazol-1-yl-N-(thiolan-3-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)CC3CCOC3

DOS

IR

Vibrations