Geometry & MOs

Info

ID:	62508
PubChem CID:	26719817
Reduced:	ClFNO2H13C18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	414.14357
ΔH_f, kcal/mol:	-62.57
Dipole, Da:	3.29
IP(EA), eV:	-8.95(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,4-N-bis(3-methylsulfanylphenyl)cyclohexane-1,4-dicarboxamide

Drug info:

PubChemData

Smile

C1C(=CC2=C(O1)C=CC(=C2)Cl)/C=C/C(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations