Geometry & MOs

Info

ID:	433114
PubChem CID:	135173251
Reduced:	BrN3O3H22C24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	187.022248
ΔH_f, kcal/mol:	11.23
Dipole, Da:	4.77
IP(EA), eV:	-8.5(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(chloromethyl)phenyl]-imino-methyl-lambda4-sulfane

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2CN1CC3=CC(=O)C(=CO3)OCC4=CC=C(C=C4)N=C/C(=C\N)/Br

DOS

IR

Vibrations