Geometry & MOs

Info

ID:	218394
PubChem CID:	85089277
Reduced:	N3O6C24H29 (1)
Stoich.:	A3B6C24D29 (1)
Weight, g/mol:	455.242021
ΔH_f, kcal/mol:	-242.85
Dipole, Da:	6.4
IP(EA), eV:	-9.91(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[(1-anilino-3-hydroxy-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCNC(=O)CCC1(CCC(=O)NC1=O)C2=CC3=C(C=C2)N=CC(C3=O)C(=O)OCC

DOS

IR

Vibrations