Geometry & MOs

Info

ID:

125859

PubChem CID:

50941573

Reduced:

SN2O8C29H40 (1)

Stoich.:

AB2C8D29E40 (1)

Weight, g/mol:

576.250537

ΔHf, kcal/mol:

-322.14

Dipole, Da:

7.0

IP(EA), eV:

 -9.02(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aS,5R,7aR)-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-5-yl] N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2COC3)O)S(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations