Geometry & MOs

Info

ID:

435058

PubChem CID:

135179158

Reduced:

OF6N6H14C23 (1)

Stoich.:

AB6C6D14E23 (1)

Weight, g/mol:

1204.74126

ΔHf, kcal/mol:

-158.93

Dipole, Da:

7.12

IP(EA), eV:

 -9.44(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[1-[6-[[(2S)-2-[[1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3,3-diphenylpropanoyl]amino]hexylamino]-1-oxo-3,3-diphenylpropan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1(C2=CC(=C(C=C2F)F)F)C(=O)NC3=CC(=C(C=C3)C4=CN=C(C=C4)C(F)(F)F)C5=NNN=N5

DOS

IR

Vibrations