Geometry & MOs

Info

ID:	387638
PubChem CID:	134986266
Reduced:	ClNSO5C10H18 (1)
Stoich.:	ABCD5E10F18 (1)
Weight, g/mol:	344.94174
ΔH_f, kcal/mol:	-229.9
Dipole, Da:	2.56
IP(EA), eV:	-8.77(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(4-iodoanilino)phenol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](C[S@](=O)CCl)C(=O)OC

DOS

IR

Vibrations