Geometry & MOs

Info

ID:	244503
PubChem CID:	99355763
Reduced:	SO3N5C25H37 (1)
Stoich.:	AB3C5D25E37 (1)
Weight, g/mol:	369.125946
ΔH_f, kcal/mol:	-79.04
Dipole, Da:	5.82
IP(EA), eV:	-9.11(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxypyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@](C1)(CNC(=O)C2=CC(=NC3=C2C(=NN3[C@H]4CCS(=O)(=O)C4)C)C5CC5)N(C)C

DOS

IR

Vibrations