Geometry & MOs

Info

ID:

220006

PubChem CID:

85165136

Reduced:

FN2O6C37H43 (1)

Stoich.:

AB2C6D37E43 (1)

Weight, g/mol:

630.283569

ΔHf, kcal/mol:

-279.29

Dipole, Da:

2.83

IP(EA), eV:

 -8.43(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[(2-amino-4-methylsulfanylbutanoyl)amino]pentanoyl]amino]acetyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1(C2(CCC1(OC2=O)C(=O)OC3CCN(CC3C4=C(NC5=C4C=CC(=C5)F)C6CCCCC6)C(=O)OCC7=CC=CC=C7)C)C

DOS

IR

Vibrations