Geometry & MOs

Info

ID:

214983

PubChem CID:

85083957

Reduced:

PS4N5O9C22H24 (1)

Stoich.:

AB4C5D9E22F24 (1)

Weight, g/mol:

661.375889

ΔHf, kcal/mol:

-309.46

Dipole, Da:

5.83

IP(EA), eV:

 -9.17(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=CP(=O)(OC)OC)C4=CSC(=N4)N)SC2)C(=O)O)CC(=O)O

DOS

IR

Vibrations