Geometry & MOs

Info

ID:

191021

PubChem CID:

78095082

Reduced:

FN4O8C42H49 (1)

Stoich.:

AB4C8D42E49 (1)

Weight, g/mol:

750.299569

ΔHf, kcal/mol:

-341.43

Dipole, Da:

8.75

IP(EA), eV:

 -9.05(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[6-[(8-chloro-6-fluoro-3-hydroxy-3,4-dihydro-2H-chromen-4-yl)amino]-1-[4-[6-(dimethylamino)pyridin-3-yl]phenyl]-5-[(2-fluorophenyl)methyl]-3-hydroxy-6-oxohexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)NC(CC1=CC=C(C=C1)C2=CN=C(C=C2)OC)C(CC(CC3=CC=CC=C3F)C(=O)NC4C(COC5=CC=CC=C45)O)O)NC(=O)OC

DOS

IR

Vibrations