Geometry & MOs

Info

ID:	129865
PubChem CID:	51074088
Reduced:	SN2O4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-122.42
Dipole, Da:	3.16
IP(EA), eV:	-9.32(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CS1)NC(=O)COC2=C(C=CC(=C2)OC)C(=O)N

DOS

IR

Vibrations