Geometry & MOs

Info

ID:

180026

PubChem CID:

76568644

Reduced:

SO8N9C33H47 (1)

Stoich.:

AB8C9D33E47 (1)

Weight, g/mol:

519.280532

ΔHf, kcal/mol:

-211.22

Dipole, Da:

8.91

IP(EA), eV:

 -9.43(-1.15)

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-1-yl)pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)C4=NN(N=N4)C5=CC=C(C=C5)OC)NNC(=O)OC(C)(C)C

DOS

IR

Vibrations