Geometry & MOs

Info

ID:	318204
PubChem CID:	126649556
Reduced:	O2C23H33 (2)
Stoich.:	A2B23C33 (2)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	-140.06
Dipole, Da:	2.05
IP(EA), eV:	-8.98(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-3-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]butanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCC(CCC(=O)O)(C1=CC=CC=C1)C(C)(C)C2=CC=C(C=C2)C(C)(C)C(CCCCCCC)(CCC(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations