Geometry & MOs

Info

ID:

127121

PubChem CID:

50991483

Reduced:

ON8H22C27 (1)

Stoich.:

AB8C22D27 (1)

Weight, g/mol:

949.549771

ΔHf, kcal/mol:

158.27

Dipole, Da:

5.46

IP(EA), eV:

 -8.85(-2.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[3-[[(2S)-1-[[(3S)-1-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-5-methyl-1-oxohexan-3-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C/4\N=C5C=NC=C(C5=N4)C6=CN=CC=C6

DOS

IR

Vibrations