Geometry & MOs

Info

ID:	437578
PubChem CID:	135226623
Reduced:	N2S3O4C25H32 (1)
Stoich.:	A2B3C4D25E32 (1)
Weight, g/mol:	416.122835
ΔH_f, kcal/mol:	-118.16
Dipole, Da:	7.29
IP(EA), eV:	-8.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-amino-2-(8-ethoxydibenzothiophen-2-yl)propyl]sulfonyl-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)SC3=C2C=C(C=C3)[C@](C)(CS(=O)(=O)C(C)(C)C#N)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations