Geometry & MOs

Info

ID:	88838
PubChem CID:	49957219
Reduced:	BrSN3O3C25H30 (1)
Stoich.:	ABC3D3E25F30 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-80.87
Dipole, Da:	2.69
IP(EA), eV:	-8.85(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-heptoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCCC3

DOS

IR

Vibrations