Geometry & MOs

Info

ID:	124623
PubChem CID:	50889913
Reduced:	BrNSO4C17H18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	392.104208
ΔH_f, kcal/mol:	-135.75
Dipole, Da:	2.8
IP(EA), eV:	-8.75(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(3-methyl-N-(3-nitrophenyl)sulfonylanilino)acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(CCCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations