Geometry & MOs

Info

ID:	71923
PubChem CID:	48415622
Reduced:	ClFO2N3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	406.113333
ΔH_f, kcal/mol:	-70.12
Dipole, Da:	6.18
IP(EA), eV:	-9.05(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)COC3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations