Geometry & MOs

Info

ID:

311963

PubChem CID:

126599445

Reduced:

IOSF2N7H14C17 (1)

Stoich.:

ABCD2E7F14G17 (1)

Weight, g/mol:

498.233916

ΔHf, kcal/mol:

45.51

Dipole, Da:

7.59

IP(EA), eV:

 -9.13(-2.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[(2S)-2-[5-[(E)-4-[[amino-[(2S)-1-(2-formamidoacetyl)pyrrolidin-2-yl]methylidene]amino]but-3-en-1-ynyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1N=CC(=C2)C(C3=NN=NN3CC4=CC=C(C=C4)OC)(F)F)SI

DOS

IR

Vibrations