Geometry & MOs

Info

ID:

214498

PubChem CID:

85083126

Reduced:

S3N4O5H22C24 (1)

Stoich.:

A3B4C5D22E24 (1)

Weight, g/mol:

542.289306

ΔHf, kcal/mol:

-55.7

Dipole, Da:

7.69

IP(EA), eV:

 -9.27(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-(1H-indol-3-yl)-1-[[4-methyl-1-(1-naphthalen-2-ylethylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=NN=C(S1)S(=O)(=O)CC2=C(N3C(C(C3=O)N)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations