Geometry & MOs

Info

ID:	240132
PubChem CID:	93576287
Reduced:	FO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	426.145868
ΔH_f, kcal/mol:	-113.65
Dipole, Da:	3.19
IP(EA), eV:	-9.3(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)C(=O)NCCC2=NC3=CC=CC=C3N2CC(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations