Geometry & MOs

Info

ID:	208901
PubChem CID:	80601215
Reduced:	O2S2N4C11H18 (1)
Stoich.:	A2B2C4D11E18 (1)
Weight, g/mol:	255.111542
ΔH_f, kcal/mol:	-36.04
Dipole, Da:	4.85
IP(EA), eV:	-8.84(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethylthiophen-2-yl)methyl]-1-(thian-2-yl)methanamine

Drug info:

PubChemData

Smile

C1CCSC(C1)CNS(=O)(=O)C2=CC(=NC=C2)NN

DOS

IR

Vibrations