Geometry & MOs

Info

ID:	71856
PubChem CID:	48415542
Reduced:	ClOSN4H19C21 (1)
Stoich.:	ABCD4E19F21 (1)
Weight, g/mol:	393.112268
ΔH_f, kcal/mol:	51.46
Dipole, Da:	3.81
IP(EA), eV:	-9.04(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(trifluoromethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CSC(=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations