Geometry & MOs

Info

ID:

16643

PubChem CID:

474338

Reduced:

NSO4C15H21 (2)

Stoich.:

ABC4D15E21 (2)

Weight, g/mol:

622.238259

ΔHf, kcal/mol:

-323.09

Dipole, Da:

2.09

IP(EA), eV:

 -9.24(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1,1-dioxothian-3-yl) N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-N-(2-phenylethyl)carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)C[C@H](CN(CCC3=CC=CC=C3)C(=O)OC4CCCS(=O)(=O)C4)O

DOS

IR

Vibrations