Geometry & MOs

Info

ID:

181184

PubChem CID:

76715697

Reduced:

FS2N4O7C48H57 (1)

Stoich.:

AB2C4D7E48F57 (1)

Weight, g/mol:

652.237386

ΔHf, kcal/mol:

-226.57

Dipole, Da:

0.79

IP(EA), eV:

 -8.71(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

21-(3-chlorophenoxy)-14-methyl-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatetracyclo[14.8.0.04,6.018,23]tetracosa-7,18(23),19,21-tetraene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=CC(=NC6=C5C=CC(=C6C)OC)C7=NC(=CS7)C(C)C)C(=O)NS(=O)(=O)C8(CC8)C)F

DOS

IR

Vibrations