Geometry & MOs

Info

ID:	208861
PubChem CID:	80595725
Reduced:	ClNSO2C15H22 (1)
Stoich.:	ABCD2E15F22 (1)
Weight, g/mol:	278.145285
ΔH_f, kcal/mol:	-71.44
Dipole, Da:	3.4
IP(EA), eV:	-8.53(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(ethylaminomethyl)phenyl]thiane-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CNCC2CCCCS2)Cl)OC

DOS

IR

Vibrations