Geometry & MOs

Info

ID:	263891
PubChem CID:	103405029
Reduced:	IO3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	407.90047
ΔH_f, kcal/mol:	-136.99
Dipole, Da:	4.93
IP(EA), eV:	-9.55(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-sulfamoylphenyl)-3-chloro-4-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1(C2CCC(C2)C1(CI)OCCCOCCOC)C

DOS

IR

Vibrations