Geometry & MOs

Info

ID:

427992

PubChem CID:

135165657

Reduced:

IS2N6O9C31H37 (1)

Stoich.:

AB2C6D9E31F37 (1)

Weight, g/mol:

828.11082

ΔHf, kcal/mol:

-215.15

Dipole, Da:

2.93

IP(EA), eV:

 -8.41(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-2-[2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-iodo-3-(2H-tetrazol-5-yl)phenyl]sulfonyl-3-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=NNN=N2)S(=O)(=O)N(CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC)O

DOS

IR

Vibrations