Geometry & MOs

Info

ID:	124657
PubChem CID:	50891124
Reduced:	ISN2O3C10H13 (1)
Stoich.:	ABC2D3E10F13 (1)
Weight, g/mol:	526.92218
ΔH_f, kcal/mol:	-91.35
Dipole, Da:	6.17
IP(EA), eV:	-9.34(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-iodoanilino)acetate

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(CC(=O)N)C1=CC=C(C=C1)I

DOS

IR

Vibrations