Geometry & MOs

Info

ID:	326869
PubChem CID:	126688450
Reduced:	SN5O6C23H27 (1)
Stoich.:	AB5C6D23E27 (1)
Weight, g/mol:	476.16714
ΔH_f, kcal/mol:	-162.15
Dipole, Da:	3.77
IP(EA), eV:	-8.69(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NC3=C(N2CCCO)C=CC(=C3)N4CCOCC4=O

DOS

IR

Vibrations