Geometry & MOs

Info

ID:	240111
PubChem CID:	93576183
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	420.159769
ΔH_f, kcal/mol:	-23.2
Dipole, Da:	4.11
IP(EA), eV:	-8.93(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2N1CC(=O)NCC3=CC=CC=C3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations