Geometry & MOs

Info

ID:	326911
PubChem CID:	126688642
Reduced:	SN4O6C24H26 (1)
Stoich.:	AB4C6D24E26 (1)
Weight, g/mol:	502.18279
ΔH_f, kcal/mol:	-155.8
Dipole, Da:	5.7
IP(EA), eV:	-8.48(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-hydroxycyclopentyl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NC3=C(N2CC4(CC4)CO)C=CC(=C3)N5CCOCC5=O

DOS

IR

Vibrations