Geometry & MOs

Info

ID:	258365
PubChem CID:	103153234
Reduced:	SN3O4C13H17 (1)
Stoich.:	AB3C4D13E17 (1)
Weight, g/mol:	299.119129
ΔH_f, kcal/mol:	-122.29
Dipole, Da:	2.2
IP(EA), eV:	-8.84(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(5-methyl-4-propylthiophene-2-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NCC(CC(=O)O)OC)C

DOS

IR

Vibrations