Geometry & MOs

Info

ID:	155452
PubChem CID:	56365507
Reduced:	BrN3O3C22H28 (1)
Stoich.:	AB3C3D22E28 (1)
Weight, g/mol:	430.203862
ΔH_f, kcal/mol:	-119.8
Dipole, Da:	2.65
IP(EA), eV:	-8.12(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=C(OC(=C3Br)C)C

DOS

IR

Vibrations