Geometry & MOs

Info

ID:	152620
PubChem CID:	56311597
Reduced:	SN2O4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	466.17871
ΔH_f, kcal/mol:	-99.34
Dipole, Da:	1.15
IP(EA), eV:	-8.74(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[1-[2-oxo-2-[4-(thiophene-2-carbonylamino)anilino]ethyl]piperidin-4-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCN(C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC=C

DOS

IR

Vibrations