Geometry & MOs

Info

ID:

16554

PubChem CID:

472550

Reduced:

SN2O7C32H40 (1)

Stoich.:

AB2C7D32E40 (1)

Weight, g/mol:

596.255623

ΔHf, kcal/mol:

-249.18

Dipole, Da:

4.57

IP(EA), eV:

 -8.81(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3-methoxyphenyl)methyl N-[(2S,3R)-4-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC(=CC=C4)OC)O

DOS

IR

Vibrations