Geometry & MOs

Info

ID:

214839

PubChem CID:

85083727

Reduced:

SN2O4C14H18 (2)

Stoich.:

AB2C4D14E18 (2)

Weight, g/mol:

620.332233

ΔHf, kcal/mol:

-274.68

Dipole, Da:

3.24

IP(EA), eV:

 -9.11(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[1-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCOC(=O)C1=CCSC2N1C(=O)C2NC(=O)C(=CCC3CC3)C4=CSC(=N4)NC(=O)OC(C)(C)C

DOS

IR

Vibrations