Geometry & MOs

Info

ID:	124682
PubChem CID:	50892258
Reduced:	BrNSCl2O4H12C15 (1)
Stoich.:	ABCD2E4F12G15 (1)
Weight, g/mol:	478.93605
ΔH_f, kcal/mol:	-118.51
Dipole, Da:	3.51
IP(EA), eV:	-9.38(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(N-(4-bromophenyl)sulfonyl-2,4-dichloroanilino)acetate

Drug info:

PubChemData

Smile

COC(=O)CN(C1=C(C=C(C=C1)Cl)Cl)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations