Geometry & MOs

Info

ID:

312342

PubChem CID:

126604353

Reduced:

FO2N8C32H35 (1)

Stoich.:

AB2C8D32E35 (1)

Weight, g/mol:

761.476121

ΔHf, kcal/mol:

27.63

Dipole, Da:

9.93

IP(EA), eV:

 -9.27(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-1-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[(2S)-1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-3-(2-methylpropyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(CCCC1(CC1)N)(C#N)C(=O)N2CCC[C@@H]2CN3C4=NC=NC(=C4C(=N3)C5=C(C=C(C=C5)OC6=CC=CC=C6)F)N

DOS

IR

Vibrations