Geometry & MOs

Info

ID:

299867

PubChem CID:

117753232

Reduced:

S2F3N3O6C29H32 (1)

Stoich.:

A2B3C3D6E29F32 (1)

Weight, g/mol:

1154.683864

ΔHf, kcal/mol:

-344.43

Dipole, Da:

2.58

IP(EA), eV:

 -9.02(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[(2S)-2-[[(2R)-1-[[(3S,6S,10S,11R,14S,15R,18S)-11-[(2S)-butan-2-yl]-10-hydroxy-18-[(4-methoxyphenyl)methyl]-15,19-dimethyl-3-(2-methylpropyl)-2,5,8,13,17,20-hexaoxo-6-propan-2-yl-7,16-dioxa-1,4,12,19-tetrazabicyclo[19.3.0]tetracosan-14-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C(SC=N1)N(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C4CCN(CC4)C(=O)C(F)(F)F

DOS

IR

Vibrations