Geometry & MOs

Info

ID:	126635
PubChem CID:	50971059
Reduced:	ClSN3O3C14H16 (1)
Stoich.:	ABC3D3E14F16 (1)
Weight, g/mol:	314.210661
ΔH_f, kcal/mol:	-76.25
Dipole, Da:	6.58
IP(EA), eV:	-9.47(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[3-(1H-benzimidazol-2-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CC(C)OCC1=NN=C(N1C2=CC(=CC=C2)Cl)SCC(=O)O

DOS

IR

Vibrations