Geometry & MOs

Info

ID:	328663
PubChem CID:	126726367
Reduced:	F2O2N3C25H25 (1)
Stoich.:	A2B2C3D25E25 (1)
Weight, g/mol:	445.200156
ΔH_f, kcal/mol:	-99.71
Dipole, Da:	6.05
IP(EA), eV:	-8.8(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2,3-dihydroxypropyl]-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=C2)CCCO)N=C1C(C3=C(C=C(C=C3)F)F)(C4=C(C=CC=N4)C)O

DOS

IR

Vibrations