Geometry & MOs

Info

ID:	191260
PubChem CID:	78123942
Reduced:	ClFN2O4C28H36 (1)
Stoich.:	ABC2D4E28F36 (1)
Weight, g/mol:	589.294057
ΔH_f, kcal/mol:	-242.89
Dipole, Da:	8.61
IP(EA), eV:	-9.66(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[1-[(3-cyclohexyl-1-methyl-2-phenylindole-6-carbonyl)amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(N=C1C(=O)NC2CCC(CC2)(C)C)C)C(C(=O)O)OC(C)(C)C)C3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations