Geometry & MOs

Info

ID:	302600
PubChem CID:	124385262
Reduced:	S2N5O6C18H21 (1)
Stoich.:	A2B5C6D18E21 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	-208.99
Dipole, Da:	11.97
IP(EA), eV:	-8.35(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

C1[C@H](SC2=C(N1)NC(=NC2=O)N)CCC3=CC=C(S3)C(=O)N[C@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations