Geometry & MOs

Info

ID:	302235
PubChem CID:	124360827
Reduced:	NO3C14H15 (2)
Stoich.:	AB3C14D15 (2)
Weight, g/mol:	504.189651
ΔH_f, kcal/mol:	-149.31
Dipole, Da:	6.88
IP(EA), eV:	-8.26(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-2-[3-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]propanoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NC4=CC=C(C=C4)OC)OC)OC)OC

DOS

IR

Vibrations