Geometry & MOs

Info

ID:	328321
PubChem CID:	126700686
Reduced:	O2N8C21H22 (1)
Stoich.:	A2B8C21D22 (1)
Weight, g/mol:	562.265216
ΔH_f, kcal/mol:	59.98
Dipole, Da:	3.12
IP(EA), eV:	-8.2(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[[4-amino-2-[[(2E)-cyclooct-2-en-1-yl]oxycarbonylamino]pteridin-6-yl]methyl-methylamino]benzoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

C1CN2C3=C(C=C(C=C3OC1)N[C@@H](C4CC4)C(=O)N)N=C2C5=CN6C(=NC(=N6)N)C=C5

DOS

IR

Vibrations