Geometry & MOs

Info

ID:	240047
PubChem CID:	93575945
Reduced:	NOC5H7 (4)
Stoich.:	ABC5D7 (4)
Weight, g/mol:	402.226705
ΔH_f, kcal/mol:	-144.03
Dipole, Da:	5.65
IP(EA), eV:	-8.84(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1R)-1-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2N1CC(=O)NCCCOC)NC(=O)[C@@H]3CCCO3

DOS

IR

Vibrations