Geometry & MOs

Info

ID:	218376
PubChem CID:	85089246
Reduced:	F2N3O4H21C24 (1)
Stoich.:	A2B3C4D21E24 (1)
Weight, g/mol:	453.199882
ΔH_f, kcal/mol:	-107.18
Dipole, Da:	3.9
IP(EA), eV:	-8.34(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonylamino]-3-oxopropoxy]acetic acid

Drug info:

PubChemData

Smile

C1COC(C1C#N)OC23C(=NC=CC2(O3)OC(F)F)CN(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations