Geometry & MOs

Info

ID:	139746
PubChem CID:	52588449
Reduced:	ClFSN2O2C19H22 (1)
Stoich.:	ABCD2E2F19G22 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-91.71
Dipole, Da:	7.31
IP(EA), eV:	-8.17(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)N2CCCCC2)S(=O)(=O)C3=C(C(=CC=C3)Cl)F

DOS

IR

Vibrations