Geometry & MOs

Info

ID:	240061
PubChem CID:	93575986
Reduced:	BrO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	470.09535
ΔH_f, kcal/mol:	-66.37
Dipole, Da:	4.04
IP(EA), eV:	-9.24(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1R)-1-[1-[2-(3-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=CC=C3)Br)NC(=O)[C@H]4CCCO4

DOS

IR

Vibrations