Geometry & MOs

Info

ID:	393454
PubChem CID:	135020626
Reduced:	O2H14C27 (1)
Stoich.:	A2B14C27 (1)
Weight, g/mol:	189.064592
ΔH_f, kcal/mol:	52.47
Dipole, Da:	7.49
IP(EA), eV:	-8.79(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-butyl-N-[(2R)-thiiran-2-yl]thiiran-2-amine

Drug info:

PubChemData

Smile

C1C2=CC3=C(C=C2C4=CC5=C(C=C41)C6=CC=CC=C6C5=O)C(=O)C7=CC=CC=C73

DOS

IR

Vibrations