Geometry & MOs

Info

ID:

181121

PubChem CID:

76715633

Reduced:

S2F3N5O8C48H58 (1)

Stoich.:

A2B3C5D8E48F58 (1)

Weight, g/mol:

630.272336

ΔHf, kcal/mol:

-382.81

Dipole, Da:

5.26

IP(EA), eV:

 -8.63(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(2-anilino-2-oxoethyl)sulfonylcarbamoyl]-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(C=C2OC3CC(N(C3)C(=O)C(CCCCCC=C)CC4=CC(=CC=C4)OC(F)(F)F)C(=O)CC5(CC5C=C)C(=O)NS(=O)(=O)N(C)C)C6=NC(=CS6)C(C)C)OC

DOS

IR

Vibrations