Geometry & MOs

Info

ID:	328655
PubChem CID:	126726327
Reduced:	N3O3F4H23C26 (1)
Stoich.:	A3B3C4D23E26 (1)
Weight, g/mol:	451.170748
ΔH_f, kcal/mol:	-233.51
Dipole, Da:	1.57
IP(EA), eV:	-9.53(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(4-fluorophenyl)-hydroxymethyl]-N-[(2R)-2-hydroxypropyl]-3-methylbenzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=C2)C(=O)NC[C@@H](C)O)N=C1C(C3=C(C=C(C=C3)F)F)(C4=C(C=C(C=C4)F)F)O

DOS

IR

Vibrations