Geometry & MOs

Info

ID:	327238
PubChem CID:	126689315
Reduced:	F3O3N4C27H29 (1)
Stoich.:	A3B3C4D27E29 (1)
Weight, g/mol:	508.173368
ΔH_f, kcal/mol:	-231.7
Dipole, Da:	7.26
IP(EA), eV:	-9.02(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(4-methyl-3-oxomorpholin-2-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(=O)N1C2CCC1CC(C2)C3=CC4=C(C=C3)N(C(=N4)NC(=O)C5=CC(=CC=C5)C(F)(F)F)CCCO

DOS

IR

Vibrations