Geometry & MOs

Info

ID:	150886
PubChem CID:	53790583
Reduced:	O2C21H35 (2)
Stoich.:	A2B21C35 (2)
Weight, g/mol:	326.111401
ΔH_f, kcal/mol:	-248.92
Dipole, Da:	3.46
IP(EA), eV:	-9.07(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-hydroxy-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)OC(=O)CCCCCCCCCCOC(=O)C(=C)C)C)C

DOS

IR

Vibrations