Geometry & MOs

Info

ID:	178634
PubChem CID:	76359009
Reduced:	S2N3O3H19C20 (1)
Stoich.:	A2B3C3D19E20 (1)
Weight, g/mol:	422.152495
ΔH_f, kcal/mol:	-11.16
Dipole, Da:	6.24
IP(EA), eV:	-9.02(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoylamino]pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1C(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations