Geometry & MOs

Info

ID:	124743
PubChem CID:	50894788
Reduced:	BrNSO6H14C16 (1)
Stoich.:	ABCD6E14F16 (1)
Weight, g/mol:	428.0445
ΔH_f, kcal/mol:	-197.49
Dipole, Da:	2.84
IP(EA), eV:	-9.9(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-chloro-2-methoxy-N-(3-nitrophenyl)sulfonylanilino)acetate

Drug info:

PubChemData

Smile

CC(C(=O)O)N(C1=CC=CC(=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations