Geometry & MOs

Info

ID:

438614

PubChem CID:

135228358

Reduced:

SN15O17C61H101 (1)

Stoich.:

AB15C17D61E101 (1)

Weight, g/mol:

369.226371

ΔHf, kcal/mol:

-792.37

Dipole, Da:

12.58

IP(EA), eV:

 -8.92(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[methyl-[2-[(4-methyl-3-oxopentan-2-yl)amino]-2-oxoethyl]amino]-3-oxopropyl]-5-oxohexanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(CC(C)C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)CS)NC(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CCNC(=O)CCCC(=O)C(C)C

DOS

IR

Vibrations