Geometry & MOs

Info

ID:

215760

PubChem CID:

85085213

Reduced:

N3O23C77H111 (1)

Stoich.:

A3B23C77D111 (1)

Weight, g/mol:

1447.452799

ΔHf, kcal/mol:

-905.06

Dipole, Da:

8.23

IP(EA), eV:

 -8.62(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 -5

Chem-info

IUPAC name:

2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[3-[(2-amino-3-sulfidopropanoyl)amino]propanoylamino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]-(2-amino-2-oxoethyl)amino]-3-sulfidopropanoate;oxygen(2-);rhenium

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC(CC=CC=CC=CC=CC=CC(C(C)C(C(C)C=CCCC=CC=CC=CC=CC(=O)NC2=C(CCC2=O)O)O)O)C(C)C(=O)CC(CC(CC(C=CCC(CC(CC(CC(C=CCC(CC(CCCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O)O)O)O)O)O)O)O)O)O)O)O

DOS

IR

Vibrations