Geometry & MOs

Info

ID:	240050
PubChem CID:	93575955
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-67.71
Dipole, Da:	4.75
IP(EA), eV:	-8.93(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1S)-1-[1-[2-(2-methylanilino)-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)NC(=O)[C@H]4CCCO4

DOS

IR

Vibrations