Geometry & MOs

Info

ID:	431120
PubChem CID:	135171190
Reduced:	SN2O4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	394.21689
ΔH_f, kcal/mol:	-193.23
Dipole, Da:	4.64
IP(EA), eV:	-9.16(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzylamino)cyclohexyl]-N-ethyl-6-fluoro-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCNC1CC(CS(=O)(=O)C1)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations