Geometry & MOs

Info

ID:	343134
PubChem CID:	127266307
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	265.068511
ΔH_f, kcal/mol:	-4.32
Dipole, Da:	4.25
IP(EA), eV:	-9.59(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyano-2-fluorophenyl)thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1NC(=O)NCCC2=C(C=NC=C2)C)C

DOS

IR

Vibrations