Geometry & MOs

Info

ID:	225885
PubChem CID:	87235927
Reduced:	BrS2N4O4H15C21 (1)
Stoich.:	AB2C4D4E15F21 (1)
Weight, g/mol:	127.990804
ΔH_f, kcal/mol:	-51.85
Dipole, Da:	7.09
IP(EA), eV:	-8.72(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(chloromethyl)methanimidamide;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N/C(=C\3/C(=O)C4=C(C=CS4)N(C3=O)NCC5=CC(=CC=C5)Br)/NS2(=O)=O

DOS

IR

Vibrations