Geometry & MOs

Info

ID:	240091
PubChem CID:	93576111
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-63.44
Dipole, Da:	3.98
IP(EA), eV:	-9.06(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2N1CC(=O)NC3CCCC3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations