Geometry & MOs

Info

ID:	401319
PubChem CID:	135050905
Reduced:	BrOSN2C19H19 (1)
Stoich.:	ABCD2E19F19 (1)
Weight, g/mol:	450.04015
ΔH_f, kcal/mol:	40.75
Dipole, Da:	5.22
IP(EA), eV:	-8.32(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-bromoanilino)-1-(2,3-dihydro-1,4-oxazin-4-yl)-2-naphthalen-1-ylprop-2-ene-1-thione

Drug info:

PubChemData

Smile

C1COCCN1C(=S)/C(=C\NC2=CC=C(C=C2)Br)/C3=CC=CC=C3

DOS

IR

Vibrations