Geometry & MOs

Info

ID:	240140
PubChem CID:	93576320
Reduced:	N4O5C23H24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	436.17467
ΔH_f, kcal/mol:	-128.44
Dipole, Da:	1.87
IP(EA), eV:	-8.63(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-[1-[2-(1,3-benzodioxol-5-ylamino)-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=CC5=C(C=C4)OCO5

DOS

IR

Vibrations