Geometry & MOs

Info

ID:

446822

PubChem CID:

135277999

Reduced:

FON4H11C14 (1)

Stoich.:

ABC4D11E14 (1)

Weight, g/mol:

706.462913

ΔHf, kcal/mol:

-6.82

Dipole, Da:

3.39

IP(EA), eV:

 -8.91(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[3-methyl-2-[methyl-[4-[2-[6-(2-methylidene-5-oxopyrrol-1-yl)hexanoyl]hydrazinyl]-4-oxobutyl]amino]butanoyl]amino]butanoyl]amino]heptanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)NC2=CC(=CC3=C2C=NN3)F

DOS

IR

Vibrations