Geometry & MOs

Info

ID:	240144
PubChem CID:	93576344
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	-67.07
Dipole, Da:	6.61
IP(EA), eV:	-8.8(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)CN1C2=CC=CC=C2N=C1CCNC(=O)C3=CC=CO3

DOS

IR

Vibrations