Geometry & MOs

Info

ID:	177991
PubChem CID:	76261407
Reduced:	O4N5H23C24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	399.071134
ΔH_f, kcal/mol:	-58.55
Dipole, Da:	2.45
IP(EA), eV:	-9.17(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(thiophene-2-carbonylamino)phenyl] 5-thiophen-2-ylpyrazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=CC=C2OC)NC(=O)CNC(=O)C3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations