Geometry & MOs

Info

ID:

125857

PubChem CID:

50941563

Reduced:

SN2O3H12C15 (1)

Stoich.:

AB2C3D12E15 (1)

Weight, g/mol:

572.292008

ΔHf, kcal/mol:

-40.15

Dipole, Da:

6.24

IP(EA), eV:

 -8.57(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aR,4S,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl] N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(C=CC=C3O)C=C2

DOS

IR

Vibrations