Geometry & MOs

Info

ID:	83982
PubChem CID:	49863044
Reduced:	FN3O3C30H36 (1)
Stoich.:	AB3C3D30E36 (1)
Weight, g/mol:	273.08235
ΔH_f, kcal/mol:	-119.77
Dipole, Da:	6.34
IP(EA), eV:	-8.56(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[(benzylamino)-sulfanylmethylidene]-3-methoxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1C2=CC=C(C=C2)F)OCC)CN3CCCC(CC3)NC(=O)C4=CN=CC(=C4)C

DOS

IR

Vibrations