Geometry & MOs

Info

ID:	327222
PubChem CID:	126689259
Reduced:	F3O3N4C25H27 (1)
Stoich.:	A3B3C4D25E27 (1)
Weight, g/mol:	477.151155
ΔH_f, kcal/mol:	-224.53
Dipole, Da:	2.69
IP(EA), eV:	-8.87(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(3-hydroxyoxetan-3-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]propyl acetate

Drug info:

PubChemData

Smile

C[C@](CN1C2=C(C=C(C=C2)[C@H]3CCCN(C3=O)C)N=C1NC(=O)C4=CC=CC(=C4)C(F)F)(CO)F

DOS

IR

Vibrations