Geometry & MOs

Info

ID:	240082
PubChem CID:	93576063
Reduced:	N4O5C24H26 (1)
Stoich.:	A4B5C24D26 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-141.8
Dipole, Da:	4.37
IP(EA), eV:	-8.42(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1S)-1-[1-[2-(benzylamino)-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)OCCO4)NC(=O)[C@H]5CCCO5

DOS

IR

Vibrations