Geometry & MOs

Info

ID:	240064
PubChem CID:	93575997
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-70.11
Dipole, Da:	4.16
IP(EA), eV:	-8.34(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

DOS

IR

Vibrations