Geometry & MOs

Info

ID:

190272

PubChem CID:

77979481

Reduced:

SF4N6O8C37H46 (1)

Stoich.:

AB4C6D8E37F46 (1)

Weight, g/mol:

771.331328

ΔHf, kcal/mol:

-463.12

Dipole, Da:

4.95

IP(EA), eV:

 -9.64(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[4-(cyclopropylsulfonylcarbamoyl)-18-(7-fluoro-5-methoxyisoquinolin-1-yl)oxy-11,13-dimethyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate

Drug info:

PubChemData

Smile

CC1CCC=CC2CC2(NC(=O)C3CC(CN3C(=O)C(C(C1)C)NC(=O)OC(C)(C)C(F)(F)F)OC4=CN=C5C=C(C=CC5=N4)F)C(=O)NS(=O)(=O)C6(CC6)C

DOS

IR

Vibrations