Geometry & MOs

Info

ID:	187556
PubChem CID:	77591242
Reduced:	O2N6C23H38 (1)
Stoich.:	A2B6C23D38 (1)
Weight, g/mol:	618.230134
ΔH_f, kcal/mol:	-75.93
Dipole, Da:	4.89
IP(EA), eV:	-8.61(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-hydroxy-2-[4-(pyridin-2-ylamino)butanoylamino]butanoyl]amino]-3-(4-phenylphenyl)propanoic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCOC3NCCC(=O)N3)C4CCC4

DOS

IR

Vibrations