Geometry & MOs

Info

ID:

169798

PubChem CID:

75150630

Reduced:

ClFON2C27H34 (1)

Stoich.:

ABCD2E27F34 (1)

Weight, g/mol:

807.446552

ΔHf, kcal/mol:

-95.35

Dipole, Da:

5.64

IP(EA), eV:

 -8.86(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[3-amino-3-oxo-1-(1,3-thiazol-2-yl)propyl]amino]-1-oxo-3-phenylbutan-2-yl]-2-[(6-tert-butyl-13-methyl-2,8,11-trioxo-9-propan-2-yl-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl)amino]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=CC=C1)C(=O)NC2CCC3C2CN(C3)CCCC4=CC(=CC(=C4)Cl)F

DOS

IR

Vibrations