Geometry & MOs

Info

ID:

449764

PubChem CID:

135301254

Reduced:

NO5C22H29 (1)

Stoich.:

AB5C22D29 (1)

Weight, g/mol:

760.452348

ΔHf, kcal/mol:

-193.65

Dipole, Da:

3.32

IP(EA), eV:

 -8.99(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cycloheptyl (E)-5-[[2-[[2-[[2-[2-[(2-amino-4-phenylbutanoyl)amino]propanoylamino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]-methylamino]acetyl]amino]pent-3-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(=CC1)C2=C(C=C(C=C2)C3CC3C(=O)OC)OC

DOS

IR

Vibrations