Geometry & MOs

Info

ID:	29298
PubChem CID:	832858
Reduced:	ClNSO2C16H18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	328.074533
ΔH_f, kcal/mol:	-65.01
Dipole, Da:	2.63
IP(EA), eV:	-8.74(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichlorophenoxy)-N-[[(3R)-3-methylcyclohexylidene]amino]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCOC(=O)C2=C(C3=CC=CC=C3S2)Cl

DOS

IR

Vibrations