Geometry & MOs

Info

ID:	240170
PubChem CID:	93576467
Reduced:	F3O3N4C24H25 (1)
Stoich.:	A3B3C4D24E25 (1)
Weight, g/mol:	440.161518
ΔH_f, kcal/mol:	-230.59
Dipole, Da:	4.6
IP(EA), eV:	-9.28(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-[1-[2-(4-chloroanilino)-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)C(F)(F)F

DOS

IR

Vibrations