Geometry & MOs

Info

ID:	297637
PubChem CID:	117624543
Reduced:	N3O3H19C22 (1)
Stoich.:	A3B3C19D22 (1)
Weight, g/mol:	408.123383
ΔH_f, kcal/mol:	-53.12
Dipole, Da:	5.93
IP(EA), eV:	-9.1(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-4-(5-fluoropyridine-2-carbonyl)benzimidazole-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)N=CC=C2)C3=C4C(=CC(=C3)/C(=C(\C)/N)/C(=O)C)NC(=O)O4

DOS

IR

Vibrations