Geometry & MOs

Info

ID:	328256
PubChem CID:	126700411
Reduced:	N2O2C15H24 (1)
Stoich.:	A2B2C15D24 (1)
Weight, g/mol:	548.249566
ΔH_f, kcal/mol:	-89.78
Dipole, Da:	6.03
IP(EA), eV:	-8.0(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-5-[(2E)-cyclooct-2-en-1-yl]oxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCN(CCC)C1=CC=C(C=C1)C[C@@H](C(=O)O)N

DOS

IR

Vibrations