Geometry & MOs

Info

ID:

169477

PubChem CID:

75108592

Reduced:

NSO5H18C20 (1)

Stoich.:

ABC5D18E20 (1)

Weight, g/mol:

879.337579

ΔHf, kcal/mol:

-74.78

Dipole, Da:

2.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.432000

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-tritylsulfanylpropanoyl]amino]-3-tritylsulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(C1C2N(C1=O)C(=C(S2)C3=CC=C(O3)[C]4[CH][CH][CH][CH]4)C(=O)OCC=C)O

DOS

IR

Vibrations