Geometry & MOs

Info

ID:	156635
PubChem CID:	56371462
Reduced:	N3O7C26H29 (1)
Stoich.:	A3B7C26D29 (1)
Weight, g/mol:	489.10856
ΔH_f, kcal/mol:	-159.11
Dipole, Da:	5.81
IP(EA), eV:	-8.36(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-bromophenyl)sulfanylpropanoylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1CCC2=CC(=C(C=C2)OC)OC)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations