Geometry & MOs

Info

ID:

215184

PubChem CID:

85084329

Reduced:

SN6O6C39H62 (1)

Stoich.:

AB6C6D39E62 (1)

Weight, g/mol:

744.421048

ΔHf, kcal/mol:

-272.84

Dipole, Da:

3.83

IP(EA), eV:

 -8.69(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[1-[1-[2-[(2-amino-3-phenylpropanoyl)amino]-3-methylpentanoyl]piperidine-2-carbonyl]piperidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(CC2=CSC(=N2)N)CC(=O)N(CC(=O)N(C)CCN3CCOCC3)C(C)C4=CC=CC=C4)O)O

DOS

IR

Vibrations