Geometry & MOs

Info

ID:	328680
PubChem CID:	126726517
Reduced:	N3O3C28H31 (1)
Stoich.:	A3B3C28D31 (1)
Weight, g/mol:	447.19582
ΔH_f, kcal/mol:	-58.37
Dipole, Da:	3.12
IP(EA), eV:	-9.19(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-7-fluoro-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCC(CNC(=O)C1=CC2=C(C=C1)N=C(N2CC)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O

DOS

IR

Vibrations