Geometry & MOs

Info

ID:	401115
PubChem CID:	135050202
Reduced:	NOSC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	305.14495
ΔH_f, kcal/mol:	-31.77
Dipole, Da:	4.93
IP(EA), eV:	-8.37(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(cyclohexylamino)-1-(4-methoxyphenyl)-3-methylsulfanylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)/C=C(/NC(C)C)\SC

DOS

IR

Vibrations