Geometry & MOs

Info

ID:	240083
PubChem CID:	93576070
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-67.04
Dipole, Da:	6.24
IP(EA), eV:	-9.19(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2N1CC(=O)NCC3=CC=CC=C3)NC(=O)[C@H]4CCCO4

DOS

IR

Vibrations