Geometry & MOs

Info

ID:	56849
PubChem CID:	22394367
Reduced:	ClSN2O5H15C18 (1)
Stoich.:	ABC2D5E15F18 (1)
Weight, g/mol:	391.978919
ΔH_f, kcal/mol:	-157.13
Dipole, Da:	8.58
IP(EA), eV:	-9.05(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations