Geometry & MOs

Info

ID:	431029
PubChem CID:	135171099
Reduced:	NSO2C8H11 (2)
Stoich.:	ABC2D8E11 (2)
Weight, g/mol:	448.227454
ΔH_f, kcal/mol:	-193.11
Dipole, Da:	8.28
IP(EA), eV:	-9.41(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-fluoro-N-[3-[(3-methyl-1-benzofuran-2-yl)methylamino]cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)NC(=O)C2CC(=O)SC2)NC(=O)C3CC(=O)SC3

DOS

IR

Vibrations