Geometry & MOs

Info

ID:

427989

PubChem CID:

135165654

Reduced:

IS2N7O11C47H52 (1)

Stoich.:

AB2C7D11E47F52 (1)

Weight, g/mol:

828.11082

ΔHf, kcal/mol:

-256.01

Dipole, Da:

5.29

IP(EA), eV:

 -8.55(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-3-[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-iodo-3-(2H-tetrazol-5-yl)phenyl]sulfonyl-2-hydroxypropyl]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)OCC6=CC=CC=C6

DOS

IR

Vibrations