Geometry & MOs

Info

ID:	302241
PubChem CID:	124360855
Reduced:	NO4C28H37 (1)
Stoich.:	AB4C28D37 (1)
Weight, g/mol:	508.220951
ΔH_f, kcal/mol:	-144.67
Dipole, Da:	3.71
IP(EA), eV:	-8.56(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](CCCC=CC2=C(C(=CC(=C2)OC)OC)C(=O)O1)NCCC3=CC=CC=C3

DOS

IR

Vibrations