Geometry & MOs

Info

ID:	190600
PubChem CID:	78027302
Reduced:	ClPN2O9C25H31 (1)
Stoich.:	ABC2D9E25F31 (1)
Weight, g/mol:	348.168522
ΔH_f, kcal/mol:	-352.73
Dipole, Da:	5.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759028
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-acetamidobutanoylamino)-2-oxo-5-phenylpentanoate

Drug info:

PubChemData

Smile

CC(C)(CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NCO[P+](=O)O)C3=C(C(=CC=C3)OC)OC)CO

DOS

IR

Vibrations