Geometry & MOs

Info

ID:

214792

PubChem CID:

85083648

Reduced:

NSO6C32H39 (1)

Stoich.:

ABC6D32E39 (1)

Weight, g/mol:

609.283235

ΔHf, kcal/mol:

-227.51

Dipole, Da:

5.06

IP(EA), eV:

 -9.39(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[(2-amino-5-methoxy-5-oxopentanoyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(CC(=O)O)NC3=CC=C(C=C3)S(=O)(=O)CCC(=O)O

DOS

IR

Vibrations