Geometry & MOs

Info

ID:

312343

PubChem CID:

126604356

Reduced:

SN5O7C40H67 (1)

Stoich.:

AB5C7D40E67 (1)

Weight, g/mol:

735.460471

ΔHf, kcal/mol:

-352.48

Dipole, Da:

7.01

IP(EA), eV:

 -9.14(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-1-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-5-cyclopropyl-1,2-dioxo-1-(prop-2-enylamino)pentan-3-yl]-3-(2-methylpropyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@H]1CCN([C@@H]1C(=O)N[C@@H](CC2CC2)C(=O)C(=O)NCC=C)C(=O)[C@H](C3(CCCCC3)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C

DOS

IR

Vibrations