Geometry & MOs

Info

ID:	1233
PubChem CID:	4023
Reduced:	NCl2O4H11C18 (1)
Stoich.:	AB2C4D11E18 (1)
Weight, g/mol:	375.006513
ΔH_f, kcal/mol:	-110.13
Dipole, Da:	5.14
IP(EA), eV:	-9.48(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-carboxy-2-phenylethenyl)-4,6-dichloro-1H-indole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=CC2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)O)C(=O)O

DOS

IR

Vibrations