Geometry & MOs

Info

ID:	401318
PubChem CID:	135050899
Reduced:	ClON2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	402.04015
ΔH_f, kcal/mol:	-6.64
Dipole, Da:	3.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.975891
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-bromoanilino)-1-morpholin-4-yl-2-phenylprop-2-ene-1-thione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=NC=[N+]2CCCCC2)Cl

DOS

IR

Vibrations