Geometry & MOs

Info

ID:

215228

PubChem CID:

85084399

Reduced:

F3S3N9O9C26H30 (1)

Stoich.:

A3B3C9D9E26F30 (1)

Weight, g/mol:

765.348611

ΔHf, kcal/mol:

-382.1

Dipole, Da:

17.51

IP(EA), eV:

 -8.91(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[1-[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC[N+]1=C(C=C(N=C1SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC(C)(C)C(=O)O)C4=CSC(=N4)N)SC2)C(=O)O)N)N.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations