Geometry & MOs

Info

ID:	379309
PubChem CID:	134357706
Reduced:	F2N3O5C23H31 (1)
Stoich.:	A2B3C5D23E31 (1)
Weight, g/mol:	495.179262
ΔH_f, kcal/mol:	-263.34
Dipole, Da:	3.73
IP(EA), eV:	-8.66(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[4-[6-(2,2-difluoroethoxy)-4,7-difluoro-1-methylbenzimidazol-2-yl]oxycyclohexyl]oxy-3-fluoropropan-2-yl]-2-hydroxyacetamide

Drug info:

PubChemData

Smile

C[C@@H](COC1CCC(CC1)OC2=NC3=C(C=C(C(=C3N2C)F)OC4(COC4)C)F)NC(=O)C

DOS

IR

Vibrations