Geometry & MOs

Info

ID:

181034

PubChem CID:

76715546

Reduced:

S2F3N4O7C51H61 (1)

Stoich.:

A2B3C4D7E51F61 (1)

Weight, g/mol:

715.309136

ΔHf, kcal/mol:

-348.17

Dipole, Da:

8.15

IP(EA), eV:

 -8.61(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[(4-fluoro-3-methylphenyl)methyl]-18-isoquinolin-1-yloxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(F)(F)F)CC(CCCCCC=C)C(=O)N2CC(CC2C(=O)CC3(CC3C=C)C(=O)NS(=O)(=O)C4(CC4)C)OC5=CC(=NC6=C5C=CC(=C6C)OC)C7=NC(=CS7)C(C)C

DOS

IR

Vibrations