Geometry & MOs

Info

ID:

180025

PubChem CID:

76568643

Reduced:

O6N7C24H37 (1)

Stoich.:

A6B7C24D37 (1)

Weight, g/mol:

729.326831

ΔHf, kcal/mol:

-207.6

Dipole, Da:

4.93

IP(EA), eV:

 -10.08(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[1-[2-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-[2-(4-methoxyphenyl)tetrazol-5-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]carbamate

Drug info:

PubChemData

Smile

CC1=NN(N=N1)C2CC(N(C2)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NC3(CC3C=C)C(=O)O

DOS

IR

Vibrations