Geometry & MOs

Info

ID:	26857
PubChem CID:	800165
Reduced:	SN4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	70.95
Dipole, Da:	3.45
IP(EA), eV:	-8.77(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-anilino-2-oxoethyl)cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)C3=C(N=CN=C3S2)N4C(=CC(=N4)C)C

DOS

IR

Vibrations