Geometry & MOs

Info

ID:

181137

PubChem CID:

76715649

Reduced:

S2N5O7C39H49 (1)

Stoich.:

A2B5C7D39E49 (1)

Weight, g/mol:

697.318557

ΔHf, kcal/mol:

-188.86

Dipole, Da:

5.32

IP(EA), eV:

 -8.92(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-isoquinolin-1-yloxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-(2-phenylethyl)-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CSC(=N1)C2=NC3=C(C=CC(=C3)OC)C(=C2)OC4CC5C(=O)CC6(CC6C=CCCCCCC(C(=O)N5C4)N)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations