Geometry & MOs

Info

ID:	56860
PubChem CID:	22394457
Reduced:	ClSO2N5C27H30 (1)
Stoich.:	ABC2D5E27F30 (1)
Weight, g/mol:	376.008469
ΔH_f, kcal/mol:	47.76
Dipole, Da:	4.17
IP(EA), eV:	-8.63(-1.16)
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-fluoroindole-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3CC5=NOC(=C5)C6=CC=C(S6)Cl

DOS

IR

Vibrations