Geometry & MOs

Info

ID:	296938
PubChem CID:	117602022
Reduced:	ClF2O4N5H18C26 (1)
Stoich.:	AB2C4D5E18F26 (1)
Weight, g/mol:	462.19032
ΔH_f, kcal/mol:	-125.19
Dipole, Da:	7.67
IP(EA), eV:	-9.4(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-ethoxypyridine-2-carbonyl)benzimidazole-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(C(C2=C1C(=CC=C2)F)C(=O)NC3=CC=C(C=C3)C(=O)O)C(=O)C4=CN(N=N4)C5=C(C(=CC=C5)Cl)F

DOS

IR

Vibrations