Geometry & MOs

Info

ID:

222702

PubChem CID:

85330370

Reduced:

SCl2N4O7C24H34 (1)

Stoich.:

AB2C4D7E24F34 (1)

Weight, g/mol:

855.358525

ΔHf, kcal/mol:

-302.51

Dipole, Da:

2.52

IP(EA), eV:

 -8.87(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[1-[[1-[[6-amino-1-[[2-[[1-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CN(C)CC1CCN(CC1)C(=O)OCC(C(=O)OC)NC(=O)C2CCCN2S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations