Geometry & MOs

Info

ID:	31254
PubChem CID:	855359
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	319.146681
ΔH_f, kcal/mol:	-26.11
Dipole, Da:	6.43
IP(EA), eV:	-9.14(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(2,6-dimethylanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

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CC[C@H](C)NC(=O)CSC1=C(C=C2C=CC(=CC2=N1)OC)C#N

DOS

IR

Vibrations