Geometry & MOs

Info

ID:

180024

PubChem CID:

76568642

Reduced:

O6N7C26H41 (1)

Stoich.:

A6B7C26D41 (1)

Weight, g/mol:

519.280532

ΔHf, kcal/mol:

-208.74

Dipole, Da:

6.3

IP(EA), eV:

 -9.69(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(5-methyltetrazol-2-yl)pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC1C=C)NC(=O)C2CC(CN2C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)N3C(=NN=N3)C

DOS

IR

Vibrations