Geometry & MOs

Info

ID:	44099
PubChem CID:	10500692
Reduced:	Cl2N3O4H11C17 (1)
Stoich.:	A2B3C4D11E17 (1)
Weight, g/mol:	390.968414
ΔH_f, kcal/mol:	-112.48
Dipole, Da:	4.51
IP(EA), eV:	-9.5(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dichloro-6-nitrophenyl) 4-hydroxy-3,5-dimethylbenzenesulfonate

Drug info:

PubChemData

Smile

C1C(=O)NC(=O)C12C(=O)N(C(=O)C3=CC=CN23)CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations