Geometry & MOs

Info

ID:	43047
PubChem CID:	10318175
Reduced:	NO5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	388.035955
ΔH_f, kcal/mol:	-210.36
Dipole, Da:	3.34
IP(EA), eV:	-9.76(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[[(2R)-2-methyl-2-(2,2,2-trichloroethoxycarbonylamino)pent-4-enoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCCCCCC/C=C\C[C@@H]1[C@@H]([C@](C(=O)O1)(CO)NC(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations