Geometry & MOs

Info

ID:

225812

PubChem CID:

87226401

Reduced:

SN4O6H32C37 (1)

Stoich.:

AB4C6D32E37 (1)

Weight, g/mol:

499.214554

ΔHf, kcal/mol:

-60.97

Dipole, Da:

9.99

IP(EA), eV:

 -8.97(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-2-methyl-1-(3-methylbutylamino)-1-oxo-3-[4-(2,2,2-trifluoroacetyl)oxy-3,5-ditritiophenyl]propan-2-yl]-(pyridin-4-ylmethyl)carbamic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C(C(=CN=C12)C(=O)N)NC3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC(=C4)C(=O)N(C)C5=CC=C(C=C5)C#CCCC=O

DOS

IR

Vibrations