Geometry & MOs

Info

ID:	122842
PubChem CID:	50823779
Reduced:	ClFSN2O3C19H20 (1)
Stoich.:	ABCD2E3F19G20 (1)
Weight, g/mol:	442.203862
ΔH_f, kcal/mol:	-142.24
Dipole, Da:	6.56
IP(EA), eV:	-9.67(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N,N-dimethyl-2-[[methyl-(4-propylphenyl)sulfonylamino]methyl]benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2CCN(CC2)C(=O)C3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations