Geometry & MOs

Info

ID:

16756

PubChem CID:

476394

Reduced:

SN2O3C14H15 (2)

Stoich.:

AB2C3D14E15 (2)

Weight, g/mol:

582.160677

ΔHf, kcal/mol:

-182.21

Dipole, Da:

10.06

IP(EA), eV:

 -8.88(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (4R)-5-cyano-4-[[2-[[2-[[(2R)-1-cyano-5-methoxy-5-oxopentan-2-yl]carbamoyl]phenyl]disulfanyl]benzoyl]amino]pentanoate

Drug info:

PubChemData

Smile

COC(=O)CC[C@H](CC#N)NC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)N[C@H](CCC(=O)OC)CC#N

DOS

IR

Vibrations