Geometry & MOs

Info

ID:

312344

PubChem CID:

126604357

Reduced:

SN5O7C38H65 (1)

Stoich.:

AB5C7D38E65 (1)

Weight, g/mol:

695.392785

ΔHf, kcal/mol:

-359.67

Dipole, Da:

7.55

IP(EA), eV:

 -9.68(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4S)-1-[(2S)-2-[[1-[(2R)-3,3-dioxo-1,3-oxathiolan-2-yl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-4-propan-2-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@H]1CCN([C@@H]1C(=O)N[C@@H](CCC2CC2)C(=O)C(=O)NCC=C)C(=O)[C@H](C(C)(C)C)NC(=O)NC3(CCCCC3)CS(=O)(=O)C(C)(C)C

DOS

IR

Vibrations