Geometry & MOs

Info

ID:

185134

PubChem CID:

77260152

Reduced:

SF2N6O7C38H42 (1)

Stoich.:

AB2C6D7E38F42 (1)

Weight, g/mol:

731.330597

ΔHf, kcal/mol:

-280.36

Dipole, Da:

6.61

IP(EA), eV:

 -9.26(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-amino-3-methyl-1-morpholin-4-yl-4-oxobutyl)-3-[[2-[[2-(2-fluorophenyl)acetyl]amino]-3-methylpentanoyl]amino]-8-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=C(C=C2)F)N=C1OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)C6=CC(=CC=C6)F)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations