Geometry & MOs

Info

ID:

426117

PubChem CID:

135140545

Reduced:

OSN2H34C43 (1)

Stoich.:

ABC2D34E43 (1)

Weight, g/mol:

853.429816

ΔHf, kcal/mol:

102.01

Dipole, Da:

2.49

IP(EA), eV:

 -8.07(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[(2-acetamidoacetyl)amino]propanoyl]amino]-N-[(2S)-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-1-[2-(methylamino)ethylamino]-1-oxobutan-2-yl]butanediamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC5=C(C=C4)C(=O)C6=C(S5)C=C(C=C6)N7C8=CC=CC=C8C(C9=CC=CC=C97)(C)C)C

DOS

IR

Vibrations