Geometry & MOs

Info

ID:	297415
PubChem CID:	117617033
Reduced:	PF2N6O9C33H39 (1)
Stoich.:	AB2C6D9E33F39 (1)
Weight, g/mol:	271.178358
ΔH_f, kcal/mol:	-420.09
Dipole, Da:	3.18
IP(EA), eV:	-8.61(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hex-5-enyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCC(C=C)(F)F)NP(=O)(OCC1[C@H]([C@@](C(O1)N2C=NC3=C2N=C(N=C3OCCC=C)NC)(C)O)O)OC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations