Geometry & MOs

Info

ID:	143436
PubChem CID:	53208927
Reduced:	FN2O4C28H29 (1)
Stoich.:	AB2C4D28E29 (1)
Weight, g/mol:	462.177727
ΔH_f, kcal/mol:	-142.98
Dipole, Da:	1.55
IP(EA), eV:	-8.2(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-6-methyl-3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)F)C(=O)O)CNCCC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations