Geometry & MOs

Info

ID:	342198
PubChem CID:	127264911
Reduced:	BrClNO7H21C24 (1)
Stoich.:	ABCD7E21F24 (1)
Weight, g/mol:	141.012746
ΔH_f, kcal/mol:	-31.79
Dipole, Da:	16.71
IP(EA), eV:	-9.29(-2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N'-aminocarbamimidothioate;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=CC2=NC3=CC=C(C=C3)Br)C4=CC(=C(C=C4)OC)OC.OCl(=O)(=O)=O

DOS

IR

Vibrations