Geometry & MOs

Info

ID:	208033
PubChem CID:	80482188
Reduced:	BrNSO3H12C13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	301.04425
ΔH_f, kcal/mol:	-96.54
Dipole, Da:	3.01
IP(EA), eV:	-9.6(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methylsulfonylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=C1C(=O)O)C)CC2=C(C=CS2)Br

DOS

IR

Vibrations