Geometry & MOs

Info

ID:	65041
PubChem CID:	29204378
Reduced:	SN3O4C25H25 (1)
Stoich.:	AB3C4D25E25 (1)
Weight, g/mol:	498.04602
ΔH_f, kcal/mol:	-92.08
Dipole, Da:	10.99
IP(EA), eV:	-8.94(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[[2-bromo-5-[methoxy(methyl)sulfamoyl]benzoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CSC(=N2)N(C3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations