Geometry & MOs

Info

ID:

185810

PubChem CID:

77350895

Reduced:

NO2C13H15 (2)

Stoich.:

AB2C13D15 (2)

Weight, g/mol:

714.318434

ΔHf, kcal/mol:

-57.19

Dipole, Da:

6.25

IP(EA), eV:

 -9.31(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[1-[2-[[2-[[2-[(2-acetamido-3-carboxypropanoyl)amino]-3-methylbutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-amino-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1CCC(N1OC(=O)C=CC(=O)ON2C(CCC2C3=CC=CC=C3)C)C4=CC=CC=C4

DOS

IR

Vibrations