Geometry & MOs

Info

ID:	214240
PubChem CID:	84974757
Reduced:	ClN2O5H17C20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	398.15902
ΔH_f, kcal/mol:	-120.3
Dipole, Da:	8.28
IP(EA), eV:	-8.52(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)amino]propan-2-yl] 3-(1,3-benzoxazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)OC(=O)C=CC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations