Geometry & MOs

Info

ID:	240081
PubChem CID:	93576059
Reduced:	N4O5C23H24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	450.19032
ΔH_f, kcal/mol:	-131.71
Dipole, Da:	4.67
IP(EA), eV:	-8.51(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=C(C=C3)OCO4)NC(=O)[C@H]5CCCO5

DOS

IR

Vibrations