Geometry & MOs

Info

ID:

427987

PubChem CID:

135165652

Reduced:

IS2N6O9C40H47 (1)

Stoich.:

AB2C6D9E40F47 (1)

Weight, g/mol:

1047.23674

ΔHf, kcal/mol:

-204.53

Dipole, Da:

6.96

IP(EA), eV:

 -8.28(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-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

C[C@H](CNC(=O)OC(C)(C)C)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

DOS

IR

Vibrations