Geometry & MOs

Info

ID:	64476
PubChem CID:	29201158
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	293.083413
ΔH_f, kcal/mol:	-29.24
Dipole, Da:	4.49
IP(EA), eV:	-9.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

DOS

IR

Vibrations