Geometry & MOs

Info

ID:

221683

PubChem CID:

85285926

Reduced:

PN4O9C27H33 (1)

Stoich.:

AB4C9D27E33 (1)

Weight, g/mol:

588.142077

ΔHf, kcal/mol:

-413.56

Dipole, Da:

4.9

IP(EA), eV:

 -8.53(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-nitro-4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC(CCC(=O)O)C(=O)N(C)CCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations