Geometry & MOs

Info

ID:	430998
PubChem CID:	135171068
Reduced:	ClSO3N4C17H19 (1)
Stoich.:	ABC3D4E17F19 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	-58.59
Dipole, Da:	7.98
IP(EA), eV:	-8.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)N1CCOC2=C(C1)C=C(C=N2)NSC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations