Geometry & MOs

Info

ID:	328654
PubChem CID:	126726300
Reduced:	ClN3O3H22C24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	501.167554
ΔH_f, kcal/mol:	-42.29
Dipole, Da:	2.19
IP(EA), eV:	-9.18(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(2,4-difluorophenyl)-hydroxymethyl]-3-ethyl-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)Cl)N=C1C(C3=CC=CC=C3)(C4=CC=CC(=C4)C(=O)NCCO)O

DOS

IR

Vibrations