Geometry & MOs

Info

ID:	187560
PubChem CID:	77592116
Reduced:	FO4N5C20H20 (1)
Stoich.:	AB4C5D20E20 (1)
Weight, g/mol:	566.25292
ΔH_f, kcal/mol:	-81.89
Dipole, Da:	4.43
IP(EA), eV:	-9.11(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(4-hydroxyphenyl)-2-[4-(pyridin-2-ylamino)butanoylamino]propanoyl]amino]-3-(4-phenylphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC=C2F)NN=CC3CC=C(O3)C4=CC(=CC=C4)C(=O)O

DOS

IR

Vibrations