Geometry & MOs

Info

ID:	282764
PubChem CID:	103938165
Reduced:	S2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	265.099731
ΔH_f, kcal/mol:	65.64
Dipole, Da:	3.05
IP(EA), eV:	-8.89(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[(1S)-1-aminopropyl]pyridin-3-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CC[C@H](C1=NC=C(C=C1)SC2=NC=CS2)N

DOS

IR

Vibrations