Geometry & MOs

Info

ID:	55907
PubChem CID:	17397328
Reduced:	NO5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	416.158351
ΔH_f, kcal/mol:	-134.5
Dipole, Da:	6.47
IP(EA), eV:	-9.02(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)OCC(=O)NCC3=CC=CO3

DOS

IR

Vibrations