Geometry & MOs

Info

ID:

52785

PubChem CID:

12015958

Reduced:

SN2O3C17H28 (1)

Stoich.:

AB2C3D17E28 (1)

Weight, g/mol:

561.281517

ΔHf, kcal/mol:

-135.69

Dipole, Da:

5.26

IP(EA), eV:

 -9.5(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[1-[2-[[2-dimethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl]cyclopentanecarbonyl]amino]hept-6-enoate

Drug info:

PubChemData

Smile

CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)[C@H](CCCC=C)N)C

DOS

IR

Vibrations