Geometry & MOs

Info

ID:	209968
PubChem CID:	80743961
Reduced:	N3O3C14H23 (1)
Stoich.:	A3B3C14D23 (1)
Weight, g/mol:	328.091535
ΔH_f, kcal/mol:	-53.16
Dipole, Da:	10.46
IP(EA), eV:	-8.71(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-2-[(2-methylthiolan-2-yl)methylcarbamoylamino]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(CN)NC1=CC(=CC(=C1)OCCC)[N+](=O)[O-]

DOS

IR

Vibrations