Geometry & MOs

Info

ID:	252684
PubChem CID:	103113226
Reduced:	BrSN2O4C9H11 (1)
Stoich.:	ABC2D4E9F11 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	-62.08
Dipole, Da:	2.84
IP(EA), eV:	-9.92(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNS(=O)(=O)CBr

DOS

IR

Vibrations