Geometry & MOs

Info

ID:	82786
PubChem CID:	49856522
Reduced:	ClFN3O3H21C30 (1)
Stoich.:	ABC3D3E21F30 (1)
Weight, g/mol:	324.095751
ΔH_f, kcal/mol:	-27.75
Dipole, Da:	3.19
IP(EA), eV:	-8.69(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (2S)-3-hydroxy-2-[(4-nitrophenyl)methoxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(C=C5)/C=C/C(=O)O)Cl

DOS

IR

Vibrations