Geometry & MOs

Info

ID:	288511
PubChem CID:	104317935
Reduced:	ClNOSC10H14 (1)
Stoich.:	ABCDE10F14 (1)
Weight, g/mol:	230.120132
ΔH_f, kcal/mol:	-50.22
Dipole, Da:	3.25
IP(EA), eV:	-8.57(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-ol

Drug info:

PubChemData

Smile

CC(CCSC1=C(C=CC=C1Cl)N)O

DOS

IR

Vibrations