Geometry & MOs

Info

ID:

181524

PubChem CID:

76756107

Reduced:

SN2O9C42H64 (1)

Stoich.:

AB2C9D42E64 (1)

Weight, g/mol:

593.352795

ΔHf, kcal/mol:

-375.62

Dipole, Da:

6.05

IP(EA), eV:

 -9.69(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[13-(3-cyclopropyl-2-oxopropanoyl)-7,7-difluoro-18,18-dimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-3-yl]acetate

Drug info:

PubChemData

Smile

CC1(CC(=O)N(C(=O)C1)CC(CC(=O)CC2CS(=O)(=O)CCCCCCCC(CC(=O)C3C4C(C4(C)C)CN3C2=O)C(=O)C(=O)CC5CC5)C(C)(C)C)C

DOS

IR

Vibrations