Geometry & MOs

Info

ID:	273677
PubChem CID:	103771699
Reduced:	ClNSO3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	320.086449
ΔH_f, kcal/mol:	-91.09
Dipole, Da:	6.05
IP(EA), eV:	-9.2(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(propylsulfonylamino)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)OCCC(=O)NCC(C2=CSC=C2)O

DOS

IR

Vibrations