Geometry & MOs

Info

ID:	193184
PubChem CID:	78354430
Reduced:	SCl2O2N3H23C26 (1)
Stoich.:	AB2C2D3E23F26 (1)
Weight, g/mol:	328.135782
ΔH_f, kcal/mol:	-19.46
Dipole, Da:	9.36
IP(EA), eV:	-9.03(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-methylthiophen-2-yl)-N-(1-phenylethylideneamino)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC3C2C(=O)NC4=C(C(C5=C(N34)CCCC5=O)C6=C(C=C(C=C6)Cl)Cl)C#N

DOS

IR

Vibrations