Geometry & MOs

Info

ID:	291973
PubChem CID:	113999499
Reduced:	OSN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	268.124549
ΔH_f, kcal/mol:	-14.72
Dipole, Da:	3.56
IP(EA), eV:	-7.98(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-4-(3-hydroxybutan-2-ylsulfanylmethyl)-3-methylbenzenecarboximidamide

Drug info:

PubChemData

Smile

CC(C(C)SC1=C2C(=C(C=C1)N)C=CC=N2)O

DOS

IR

Vibrations