Geometry & MOs

Info

ID:

222938

PubChem CID:

85333326

Reduced:

N5O6C38H47 (1)

Stoich.:

A5B6C38D47 (1)

Weight, g/mol:

672.351648

ΔHf, kcal/mol:

-216.58

Dipole, Da:

7.75

IP(EA), eV:

 -9.15(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-[[1-(2-amino-4-methylsulfanylbutanoyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(=O)NCCC1(CCCC1)C(NC(CC2=CC=C(C=C2)N3C(N(C(C3=O)CC4=CN=CC=C4)C(=O)C)CCC5=CC=CC=C5)C(=O)O)O

DOS

IR

Vibrations