Geometry & MOs

Info

ID:	240067
PubChem CID:	93576012
Reduced:	BrO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-62.03
Dipole, Da:	4.21
IP(EA), eV:	-9.03(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations