Geometry & MOs

Info

ID:	209244
PubChem CID:	80641994
Reduced:	ClSN2O3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	277.009491
ΔH_f, kcal/mol:	-91.03
Dipole, Da:	7.75
IP(EA), eV:	-9.16(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(chloromethyl)piperidin-1-yl]-(3-chlorothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)OC2=CC(=C(C=C2)S(=O)(=O)NC)N

DOS

IR

Vibrations