Geometry & MOs

Info

ID:	240168
PubChem CID:	93576458
Reduced:	BrO3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	424.191069
ΔH_f, kcal/mol:	-68.73
Dipole, Da:	5.87
IP(EA), eV:	-9.3(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)C(=O)NCCCC2=NC3=CC=CC=C3N2CC(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations