Geometry & MOs

Info

ID:	240093
PubChem CID:	93576113
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-31.15
Dipole, Da:	5.79
IP(EA), eV:	-8.92(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2N1CC(=O)NC3CC3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations