Geometry & MOs

Info

ID:	240046
PubChem CID:	93575932
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	-117.83
Dipole, Da:	0.57
IP(EA), eV:	-9.01(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2N1CC(=O)NC3CCCCC3)NC(=O)[C@@H]4CCCO4

DOS

IR

Vibrations