Geometry & MOs

Info

ID:	72299
PubChem CID:	48416019
Reduced:	ClFO2N4C21H22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	410.141262
ΔH_f, kcal/mol:	-84.78
Dipole, Da:	7.61
IP(EA), eV:	-9.31(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4-cyanophenyl)methylsulfonyl]-N-methylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations