Geometry & MOs

Info

ID:	240080
PubChem CID:	93576058
Reduced:	N4O5C23H24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	436.17467
ΔH_f, kcal/mol:	-132.0
Dipole, Da:	3.79
IP(EA), eV:	-8.53(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1R)-1-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=C(C=C3)OCO4)NC(=O)[C@H]5CCCO5

DOS

IR

Vibrations