Geometry & MOs

Info

ID:	130271
PubChem CID:	51075453
Reduced:	FN2S2O3C14H21 (1)
Stoich.:	AB2C2D3E14F21 (1)
Weight, g/mol:	305.07555
ΔH_f, kcal/mol:	-171.36
Dipole, Da:	3.49
IP(EA), eV:	-8.65(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]butanoate

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC(CCSC)C(=O)NC1=C(C=CC(=C1)F)C

DOS

IR

Vibrations