Geometry & MOs

Info

ID:	292306
PubChem CID:	114916432
Reduced:	BrNS2O4H12C13 (1)
Stoich.:	ABC2D4E12F13 (1)
Weight, g/mol:	289.04425
ΔH_f, kcal/mol:	-113.48
Dipole, Da:	5.44
IP(EA), eV:	-8.5(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(cyclopropylmethylsulfonylamino)-4-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=C1NS(=O)(=O)C2=CC(=CC=C2)Br)C(=O)OC

DOS

IR

Vibrations