Geometry & MOs

Info

ID:	175461
PubChem CID:	75908251
Reduced:	SF3O3N4C18H23 (1)
Stoich.:	AB3C3D4E18F23 (1)
Weight, g/mol:	451.02983
ΔH_f, kcal/mol:	-272.4
Dipole, Da:	3.45
IP(EA), eV:	-9.2(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-bromophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carbohydrazide

Drug info:

PubChemData

Smile

C1C2C(C(S1)CCCCC(=O)NCC3=C(N=CC=C3)OCC(F)(F)F)NC(=O)N2

DOS

IR

Vibrations