Geometry & MOs

Info

ID:	170494
PubChem CID:	75241622
Reduced:	PN5O9C17H18 (1)
Stoich.:	AB5C9D17E18 (1)
Weight, g/mol:	321.168856
ΔH_f, kcal/mol:	-351.77
Dipole, Da:	5.43
IP(EA), eV:	-9.29(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminopropanoylamino)-N-(3-hydroxy-1-oxobutan-2-yl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)OC2C(OC(C2O)N3C=NC4=C(N=CN=C43)N)COP(=O)(O)O)O

DOS

IR

Vibrations