Geometry & MOs

Info

ID:	240043
PubChem CID:	93575916
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-112.7
Dipole, Da:	5.53
IP(EA), eV:	-8.83(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1S)-1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2N1CC(=O)NC(C)C)NC(=O)[C@@H]3CCCO3

DOS

IR

Vibrations