Geometry & MOs

Info

ID:

169427

PubChem CID:

75103339

Reduced:

SO7N9C35H43 (1)

Stoich.:

AB7C9D35E43 (1)

Weight, g/mol:

715.344195

ΔHf, kcal/mol:

-239.93

Dipole, Da:

4.17

IP(EA), eV:

 -8.74(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC(=O)N)N

DOS

IR

Vibrations