Geometry & MOs

Info

ID:	240284
PubChem CID:	93576762
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	240.129634
ΔH_f, kcal/mol:	-48.54
Dipole, Da:	3.57
IP(EA), eV:	-8.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(2S)-butan-2-yl]-N-ethyl-5-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC)C(=O)C1=CC(=C(S1)C)N

DOS

IR

Vibrations