Geometry & MOs

Info

ID:

427988

PubChem CID:

135165653

Reduced:

IS2N7O11C44H54 (1)

Stoich.:

AB2C7D11E44F54 (1)

Weight, g/mol:

1081.22109

ΔHf, kcal/mol:

-310.22

Dipole, Da:

9.4

IP(EA), eV:

 -8.67(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2R)-1-[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-iodo-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@@H](CS(=O)(=O)C1=C(C(=C(C=C1)I)C2=NN(N=N2)CC3=CC=C(C=C3)OC)S(=O)(=O)N(CC4=CC=C(C=C4)OC)CC5=CC=C(C=C5)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations