Geometry & MOs

Info

ID:	434870
PubChem CID:	135175876
Reduced:	NO3C12H12 (2)
Stoich.:	AB3C12D12 (2)
Weight, g/mol:	326.147786
ΔH_f, kcal/mol:	-169.65
Dipole, Da:	11.77
IP(EA), eV:	-9.78(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[ethyl-[(E)-3-[(2S)-2-[methyl(prop-2-enoyl)amino]propanoyl]oxyprop-2-enoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)N(C1=CC=CC=C1)C(=O)/C=C/OC(=O)[C@H](C)N(C2=CC=CC=C2)C(=O)C=C

DOS

IR

Vibrations