Geometry & MOs

Info

ID:	142818
PubChem CID:	53096144
Reduced:	SN2O4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	375.01882
ΔH_f, kcal/mol:	-53.48
Dipole, Da:	4.87
IP(EA), eV:	-9.44(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chlorothiophen-2-yl)sulfonyl-2-(5-methylthiophen-2-yl)azepane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations