Geometry & MOs

Info

ID:	439366
PubChem CID:	135229139
Reduced:	ON6C17H28 (1)
Stoich.:	AB6C17D28 (1)
Weight, g/mol:	586.33665
ΔH_f, kcal/mol:	-10.83
Dipole, Da:	3.51
IP(EA), eV:	-8.95(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[methyl-[3-(2-oxo-3-phenylmethoxypyridin-1-yl)propyl]amino]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCC(CO)NC1=NC(=NC=C1CCC2=CC(=NN2C)C)N

DOS

IR

Vibrations