Geometry & MOs

Info

ID:	172919
PubChem CID:	75572885
Reduced:	BrSO2N4C23H27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	403.129884
ΔH_f, kcal/mol:	-29.27
Dipole, Da:	1.69
IP(EA), eV:	-8.21(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-chloro-5-[3,5-dimethyl-4-(3-nitrophenyl)pyrazolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCC(=NNC1=NC2=C(S1)C(=C(C(=C2)C)NC(=O)COC3=C(C=C(C=C3Br)C)C)C)C

DOS

IR

Vibrations