Geometry & MOs

Info

ID:	231431
PubChem CID:	87573697
Reduced:	NSO5H11C12 (1)
Stoich.:	ABC5D11E12 (1)
Weight, g/mol:	253.130553
ΔH_f, kcal/mol:	-155.54
Dipole, Da:	3.62
IP(EA), eV:	-10.52(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;2-butyl-1-(diaminomethylidene)guanidine;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1S(=O)(=O)N=C=O)C(=O)OCC=C

DOS

IR

Vibrations