Geometry & MOs

Info

ID:	83875
PubChem CID:	49862088
Reduced:	SN4C24H24 (1)
Stoich.:	AB4C24D24 (1)
Weight, g/mol:	593.170845
ΔH_f, kcal/mol:	108.57
Dipole, Da:	3.98
IP(EA), eV:	-8.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(2-morpholin-4-ylpyridin-4-yl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3)C5=CC=CS5

DOS

IR

Vibrations