Geometry & MOs

Info

ID:

214772

PubChem CID:

85083613

Reduced:

NO4F7C30H34 (1)

Stoich.:

AB4C7D30E34 (1)

Weight, g/mol:

605.24454

ΔHf, kcal/mol:

-530.43

Dipole, Da:

4.56

IP(EA), eV:

 -8.84(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-amino-2-[[2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(C(CCO2)CN3CCC4(CC3)C(CCO4)O)C5=CC=C(C=C5)F

DOS

IR

Vibrations