Geometry & MOs

Info

ID:

427986

PubChem CID:

135165651

Reduced:

IS2N5O8C37H40 (1)

Stoich.:

AB2C5D8E37F40 (1)

Weight, g/mol:

946.18907

ΔHf, kcal/mol:

-125.49

Dipole, Da:

7.2

IP(EA), eV:

 -8.5(-1.44)

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-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonyl-2-methylpropyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2N=C(N=N2)C3=C(C=CC(=C3S(=O)(=O)N(CC4=CC=C(C=C4)OC)CC5=CC=C(C=C5)OC)S(=O)(=O)[C@@H]6CC[C@@H](C6)CO)I

DOS

IR

Vibrations