Geometry & MOs

Info

ID:	56841
PubChem CID:	22394346
Reduced:	ON2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	425.939946
ΔH_f, kcal/mol:	-55.57
Dipole, Da:	3.18
IP(EA), eV:	-9.38(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dichloro-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)O)C2=NC=NC=C2

DOS

IR

Vibrations