Geometry & MOs

Info

ID:	280716
PubChem CID:	103850890
Reduced:	BrNO5C14H20 (1)
Stoich.:	ABC5D14E20 (1)
Weight, g/mol:	336.081364
ΔH_f, kcal/mol:	-185.45
Dipole, Da:	1.27
IP(EA), eV:	-8.86(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=C(C(=CC(=C1)OC)Br)OC

DOS

IR

Vibrations