Geometry & MOs

Info

ID:	240045
PubChem CID:	93575923
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-120.62
Dipole, Da:	6.72
IP(EA), eV:	-8.78(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S)-1-[1-[2-(cyclohexylamino)-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)C)NC(=O)[C@H]3CCCO3

DOS

IR

Vibrations