Geometry & MOs

Info

ID:	188643
PubChem CID:	77747476
Reduced:	ClN3O5C26H36 (1)
Stoich.:	AB3C5D26E36 (1)
Weight, g/mol:	401.227434
ΔH_f, kcal/mol:	-206.91
Dipole, Da:	7.32
IP(EA), eV:	-9.08(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-oxo-1,3-diazinan-4-yl)amino]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C)C#CC(C)(C(=O)C1CC(N(C1)CC2=C(C=CC(=C2)Cl)CNC(=O)OC(C)(C)C)C(=O)N)O

DOS

IR

Vibrations