Geometry & MOs

Info

ID:

425483

PubChem CID:

135126499

Reduced:

ON6C20H22 (1)

Stoich.:

AB6C20D22 (1)

Weight, g/mol:

905.450969

ΔHf, kcal/mol:

34.48

Dipole, Da:

6.12

IP(EA), eV:

 -8.9(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(6S)-4-[(1R)-1-[(2S)-2-[[(6S)-6-benzyl-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]-1-cyclohexylpropan-2-yl]-6-[(4-hydroxyphenyl)methyl]-2,3-dioxopiperazin-1-yl]ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide

Drug info:

PubChemData

Smile

C1CC2(CCC1(CC2)CC#N)N3C(=NC4=CN=C5C(=C43)C=CN5)CC(=O)N

DOS

IR

Vibrations