Geometry & MOs

Info

ID:

222935

PubChem CID:

85333279

Reduced:

NS2O6C37H39 (1)

Stoich.:

AB2C6D37E39 (1)

Weight, g/mol:

661.281988

ΔHf, kcal/mol:

-114.51

Dipole, Da:

6.98

IP(EA), eV:

 -9.38(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CCSC(=O)ON=CC1=CC=C(C=C1)C2CC3(C(CCC3(C#CC4=CC=C(C=C4)S(=O)(=O)C)O)C5C2=C6CCC(=O)C=C6CC5)C

DOS

IR

Vibrations