Geometry & MOs

Info

ID:

1952

PubChem CID:

5415

Reduced:

SN6O8C37H42 (1)

Stoich.:

AB6C8D37E42 (1)

Weight, g/mol:

730.278484

ΔHf, kcal/mol:

-288.47

Dipole, Da:

9.5

IP(EA), eV:

 -8.74(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations