Geometry & MOs

Info

ID:	240130
PubChem CID:	93576284
Reduced:	BrO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	470.09535
ΔH_f, kcal/mol:	-67.76
Dipole, Da:	8.63
IP(EA), eV:	-8.94(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-[1-[2-(3-bromoanilino)-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)Br

DOS

IR

Vibrations