Geometry & MOs

Info

ID:	183414
PubChem CID:	77021360
Reduced:	SN3O4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	309.089561
ΔH_f, kcal/mol:	-94.12
Dipole, Da:	4.85
IP(EA), eV:	-9.61(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-3-[N-(1H-imidazol-5-ylsulfonyl)anilino]propanimidamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CN=CN2)C=CC(=O)O

DOS

IR

Vibrations