Geometry & MOs

Info

ID:	227399
PubChem CID:	87561642
Reduced:	NaO3C24H37 (1)
Stoich.:	AB3C24D37 (1)
Weight, g/mol:	597.206225
ΔH_f, kcal/mol:	-45.75
Dipole, Da:	49.67
IP(EA), eV:	-5.93(-2.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-methyl-2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pentanoyl]amino]-8-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCOC(CC)C(=O)[O-].[Na+]

DOS

IR

Vibrations