Geometry & MOs

Info

ID:	343666
PubChem CID:	127266842
Reduced:	SN3O4C15H25 (1)
Stoich.:	AB3C4D15E25 (1)
Weight, g/mol:	308.130697
ΔH_f, kcal/mol:	-168.84
Dipole, Da:	7.32
IP(EA), eV:	-9.45(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CC[C@@H](N([C@@H]1C)S(=O)(=O)C2=C(N(N=C2)C)C)C

DOS

IR

Vibrations