Geometry & MOs

Info

ID:	240108
PubChem CID:	93576176
Reduced:	N4O5H20C23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	446.15902
ΔH_f, kcal/mol:	-79.82
Dipole, Da:	4.62
IP(EA), eV:	-8.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=C(C=C3)OCO4)NC(=O)C5=CC=CO5

DOS

IR

Vibrations