Geometry & MOs

Info

ID:	56861
PubChem CID:	22394463
Reduced:	ClFSN2O3H10C17 (1)
Stoich.:	ABCD2E3F10G17 (1)
Weight, g/mol:	442.00019
ΔH_f, kcal/mol:	-37.58
Dipole, Da:	1.81
IP(EA), eV:	-9.22(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(trifluoromethoxy)indole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1F)C=C(N2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O

DOS

IR

Vibrations